An international workshop on "New Neutron Diffractometer (BIX-P1 type) for Biological & Chemical Crystallography" is going to be held in March 7, 8 (2007) at Hitachi Civic Center, Ibaraki, Japan. The diffractometer, named IBARAKI Biological Crystal Diffractometer, is a new single crystal pulsed neutron diffractometer for biological and chemical crystallographies and is being constructed by Ibaraki Prefecture Government in J-PARC. In this workshop, the topics on neutron crystallgraphy both for samples from organic materials, polymers to bio-macromolecules and for methods from new pulsed neutron source to new direct phasing will be discussed.

Before the workshop, a special seminar on the subject of direct methods of crystallographic phase problem will be scheduled on March 6 (2007) at Ibaraki University. It will be three one-hour mini talks by Prof. Xu Hongliang to cover (1) fundamental theory, (2)algorithm and (3) practice.

After the workshop, J-PARC tour is sheduled on 9:00-12:00(AM) on the 9th, March (2007).

What's New

• March 1 (2007): Chair persons have been added (Program).
• February 19 (2007): Change of the Japanese speaker from Dr. Kuroki (JAEA) to Dr. Adachi (JAEA)
• February 15 (2007): Program in March 8, Deadline for Registration
• February 7 (2007): Japanese speakers, Program, and Registration have been updated.
• February 2 (2007): The date of the banquet has been moved to March 7.
• January 29 (2007): Program has been uploaded.
• January 24 (2007): The information of the Special seminar has been uploaded.
• January 22 (2007): The map around Hitachi St. & Hitachi Civic Center has been updated.
• January 19 (2007): This website has been released.

Program

Invited Speakers

Foreign speakers

• Prof. Michael Blaber (Florida State University)
• Prof. Jon Cooper (University of Southampton)
• Prof. Hongliang Xu (Hauptman-Woodward Institute / State University of New York at Buffalo)
• Dr. Arthur J. Schultz (Argonne National Laboratory)
• Dr. Pappannan Thiyagarajan (Argonne National Laboratory)

Japanese speakers

• Dr. Motoyasu ADACHI (Japan Atomic Energy Agency)
• Prof. Toshiyuki CHATAKE (Kyoto University)
• Prof. Makoto FUJITA (University of Tokyo)
• Dr. Takuya ISHIKAWA (Ibaraki University)
• Dr. Takayoshi KINOSHITA (Osaka Prefecture University)
• Dr. Tamiko KIYOTANI (Showa Pharmaceutical University)
• Dr. Hirofumi KUROKAWA (Tohoku University)
• Prof. Koji TASHIRO (Toyota Technological Institute)
• Dr. Shigefumi YAMAMURA (Kitasato University)

Closeing address will be given by Dr. Makoto Hayashi (Ibaraki Prefecture Government).

Workshop (March 7, 8)

Day 1 (March 7)

• 13:00-13:10 - Opening Address (Nobuo Niimura)
• 13:10-15:00 - Introduction of IBARAKI Biological Crystal Diffractometer (Chair: Nobuo Niimura)
  • Overview
    (20min) Ichiro Tanaka: Ibaraki Univ.
  • Neutron Guide Tube and Optics
    (20min) Takashi Ohhara: JAEA
  • Software I
    (20min) Katsuhiro Kusaka: JAEA
  • Software II & Detector System
    (30min) Takaaki Hosoya, Masaki Katagiri: JAEA
  • Shieldings & Others
    (20min) Kazuo Kurihara: JAEA
• 15:00-15:30 - Coffee Break
• 15:30-17:00 - MaNDi, Topaz and Softwares (Chair: Ichiro Tanaka)
  • Current Status of the MaNDi instrument at the SNS
    (45min) Pappannan Thiyagarajan: Argonne National Lab.
  • Using ISAW for the Analysis of Time-of-Flight Single-Crystal Neutron Diffraction Data
    (45min) Arthur J. Schultz: Argonne National Lab.
• 17:00-18:30 - Discussion (Chair: Nobuo Niimura)
• 19:00-20:30 - Banquet

Day 2 (March 8)

• 10:15-12:00 - Neutron Protein Crystallography I (Chair: Motoyasu Adachi)
  • Neutron protein crystallography in Europe − facilities, examples and future prospects
    (45min) Jonathan B. Cooper: Univ. Southampton
  • Neutron Crystallographic Analysis of Human Deoxyhemoglobin
    (20min) Toshiyuki Chatake, Yukio Morimoto: Kyoto Univ.
  • A Neutron Crystallographic Analysis of a Cubic Insulin at pD 6.6
    (20min) Takuya Ishikawa: Ibaraki Univ.
  • Ultrahigh-resolution Crystal Structure of Subtilisin ALP I
    (20min) Hirofumi Kurokawa: Tohoku Univ.
• 12:00-13:30 - Lunch
• 13:30-14:35 - Neutron Protein Crystallography II (Chair: Ryota Kuroki)
  • Solvent structure in protein engineering of human fibroblast growth factor-1
    (45min) Michael Blaber: Florida State Univ.
  • Crystal growth and preliminaly neutron diffraction study of ADP-ribose pyrophosphatase
    (20min) Motoyasu Adachi, Ryota Kuroki: JAEA; Takushi Ooga, Seiki Kuramitsu: Osaka Univ.
• 14:35-15:15 - Neutron Diffraction for Drug Design (Chair: Toshiyuki Chatake)
  • Prospects of Neutron Crystallography and Structural-Based Drug Design
    (20min) Takayoshi Kinoshita: Osaka Pref. Univ.
  • Necessity and Expectation to the Application of Neutron Crystal Structure Determination and J-PARC to Drug Development − Approach from Small Molecules
    (20min) Tamiko Kiyotani: Showa Pharm. Univ.
• 15:15-15:40 - Coffee Break
• 15:40-17:20 - Data Analysis, Neutron Diffraction for Organic Molecules and Polymers (Chair: Tomoji Ozeki)
  • Recent Advances in Neutron Phase Problem
    (40min) Hongliang Xu: Hauptman-Woodward Inst.
  • Structural Refinement of Industrially-Important Crystalline Polymers on the Basis of Wide-Angle Synchrotron X-ray and Wide-Angle Neutron Diffraction Data Collected for Uniaxially-Oriented Samples of Hydrogenated and Deuterated Species
    (20min) Koji Tashiro, Makoto Hanesaka: Toyota Tech. Inst.; Tomoji Ozeki: Tokyo Tech (Tokyo Inst. Tech.)
  • A Molecular Ice Enchlathrated in a Self-Assembled Cage
    (20min) Makoto Fujita: Univ. Tokyo
  • Dynamic Figures of Crystal Water Molecules in Nucleotide Hydrates Studied by Neutron and X-ray Analyses
    (20min) Shigefumi Yamamura, Yoko Sugawara: Kitasato Univ.
• 17:20-17:30 - Closing Address (Makoto Hayashi: Ibaraki Pref. Gov.)

*** Titles written in italic are tentative.

Special seminar

a special seminar on the subject of direct methods of crystallographic phase problem will be scheduled on March 6 (2007) at Ibaraki University. It will be three one-hour mini talks by Prof. Xu Hongliang to cover (1) fundamental theory, (2)algorithm and (3) practice.

• Date: 13:00-16:00 (tentative), March 6, 2007
• Place: Meeting Room, 8F, Integrated Research Building, Hitachi Campus, Ibaraki University
• Speaker: Prof. Hongliang Xu
• Title: Direct Methods of Crystallographic Phase Problem

J-PARC tour

• Date: 9:00-12:00, March 9, 2007
• Place: Tokai R&D Center, Japan Atomic Energy Agency
• Contents: J-PARC Material and Life Science Facility (MLF), 50GeV ring

A shuttle bus will connect the Hitachi station (Hotel Nikko Hitachi) to JAEA.

Banquet

• Date: 19:00-20:30, March 7, 2007
• Place: in preparation (near the WS site)
• Fee: about 3000 Yen

Access

Hitachi Civic Center

"Hitachi Civic Center" is 2~3 minutes walk from Hitachi Station.

Large version

Google Map (Japanese ver.)

• from downtown Tokyo: Go to Ueno Station by JR Yamanote Line, etc. Transfer to JR Joban Line there and get off at Hitachi Station (about 90/100 minutes by Super/Fresh Hitachi Limited Express).
• from Narita Airport: An express bus "Rose Liner (English / Japanese" runs from the airport terminal 1/2 to Hitachi (about 3 hours). You can buy the ticket at the ticket counter in the airport terminal 1/2.

Ibaraki University (Hitachi campus)

See http://www.ibaraki.ac.jp/en/all/map_hitachi.htm (Access Guide, Ibaraki University)

Japan Atomic Energy Agency

See http://j-parc.jp/en/access.html (J-PARC Access Map, J-PARC)

Registration

Registration

Please send the following information by e-mail in "Where to apply".

1. Name
2. Affiliation
3. Position
4. E-mail
5. Address
6. Field of expertise
7. Attendance to Banquet (Yes / No)
8. Attendance to Special Seminar by Prof. Xu (Yes / No)
9. Attendance to J-PARC Tour (Yes / No)*

* Shuttle bus will be arranged (see program). If you will use it, please let us know.

Registration fee

FREE

Where to apply

Replace (%) with @.

Deadline

• Feb. 28, 2007 for J-PARC tour
• Mar. 5, 2007 for Banquet

Accomodation

• Hotel Nikko Hitachi (Website)
• Toyoko Inn (Website)
• Hotel Tenchikaku (Website)
• Hotel Hitachi Plaza (Website, Japanese only)
• Hotel Wing International Hitachi (Website, Japanese only)

About the Workshop

Organizing Committee

• Ichiro TANAKA (Associate Prof.)
  Department of Biomolecular Functional Engineering, College of Engineering, Ibaraki University
  E-mail: i.tanaka (%) mx.ibaraki.ac.jp
  Phone: +81-294-38-7093
   
• Takaaki HOSOYA (Dr.)
  Pulsed Neutron Instrumentation R & D group, Quatum Beam Science Directorate, Japan Atomic Energy Agency
  E-mail: hosoya.takaaki (%) jaea.go.jp
   
• Kazuo KURIHARA (Dr.)
  Pulsed Neutron Instrumentation R & D group, Quatum Beam Science Directorate, Japan Atomic Energy Agency
   
• Katsuhiro KUSAKA (Dr.)
  Research Group for Molecular Structural Biology, Quatum Beam Science Directorate, Japan Atomic Energy Agency
   
• Nobuo NIIMURA (Prof.)
  Institute of Appliced Beam Science, Graduate School of Science and Engineering, Ibaraki University
   
• Takashi OHHARA (Dr.)
  Research Group for Molecular Structural Biology, Quatum Beam Science Directorate, Japan Atomic Energy Agency

Replace (%) with @.

Sponsorship

• Ibaraki Prefecture Government (Website)
• Japan Atomic Energy Agency (JAEA) (Website)
• Ibaraki University (Website)
• Human Frontier Science Program (HFSP) of Japanese Group (Japanese group website / International website)

Cooperation

• J-PARC (JAEA and KEK joint project) (Website)