Goals Structural Biology Collaboratory Allow a team of researchers distributed anywhere in the world to perform a complete crystallographic experiment together. Enhance productivity by allowing remote collaborators to participate in experimental choices at the beam line. Facilitate collaborative experiments in such areas as drug design and structural genomics. Fully utilize National resources for crystallographic experiments.

Remote access to experimental facilities 24/7 access to data and computing WWW Diffraction Image Viewer Data Reduction and Structure Analysis Synchrotron Research Resource Data Collection File Server and Compute Server Crystal Mounting Robot Structural Biology Collaboratory

6 live feeds per SMB-Crystallography beamline Currently available on 3 beamlines to increase to 6 over the coming 3 months Critical machine surveillance for remote monitoring Network limitations only allow low- quality feeds at present. Bottlenecks at SLAC and user’s institutions. Benefits Users can monitor sample and beam line remotely Staff can troubleshoot and diagnose problems Images served to automated sample alignment software General features A web-base GUI Secure access Restricted access Preset positions Synchrotronization of clients Camera enable/disable Image control Snapshot Beamline Video System

Live Live video feeds to BLU-ICE/DCS Full remote control of the experiment Interactive crystal alignment Automated loop alignment Beam line alignment Beam line diagnostics and user-support Robot monitoring and sample tracking Beamline Video System applications

Archive System Need driven:  Two new CCD detectors operational, which generate 74MB images with a readout of 1 second.  Current 24/7 average duty cycle is 1% limited by manual sample mounting and low intensity of x-ray beam  Increase of duty cycle to 20% through Structural Genomics initiative to automate sample handling and Spear3 upgrade to provide 20x increase in beam intensity by 2004  Increase to at least 6 similar systems Objectives:  Large-volume long term data storage system.  A centralized data storage system to allow users to share data easilywith their collaborators.  Support for the large area and fast readout detectors.  Meta-data catalog to allow searching of specific data sets.  Higher security and reliability than digital tapes. Current Status:  A command-line based “Uploader” has been developed and used by SMB staff rountinely.  srbBrowser provided by SDSC is currently used for downloading data from SRB.  summaries to help book keeping.  System requirements were gathered from users and SMB staff.

Archive System Server Blu-Ice Unix “Uploader” Archive System Database SRB (Storage Res ourc e Broker) HPSS (High Performance Storage System) RAID System WWW-GUI SSRL or elsewhere BLU-ICE Automated backup during data collection WWW-GUI Browse data at both SSRL and SDSC computers. Upload and download data. Set access permission. Define, monitor and prioritize multiple arhicve jobs. Searchable meta-data summaries to help book-keeping Archive System Architecture

Automation Instrumentation A decade ago, interfaces were VT100-style Modern interfaces are highly graphical and intuitive but are typically instrument driven Next generation interfaces are data driven Data Driven Interfaces High-throughput Structural Biology Next generation scientific challenges  Structural genomics and proteomics in the post genome sequencing era  High-throughput structural biology for drug discovery Global efforts  Life sciences is moving towards global collaborations in big- science efforts  Immense data generation and data mining at unprecedented rates

Structural Molecular Biology Macromolecular Crystallography Group at SSRL Peter Kuhn, Group Leader Mike Soltis, Group Leader Collaboratory Team Jessica ChiuThomas Eriksson Kenneth Sharp SMB Scientific Group: Ana Gonzalez Irimpan Mathews Ashley Deacon Jeanette Hobbs Students Jian ZhangZepu Zhang Gilbert Martinez SMB Beamlines Group: Aina Cohen Paul Ellis Mitch MillerDan Harrington Mike Hollenbeck Paul Phizackerley Russ FloydJohn Kovarik John Coller SMB Software-Development: Tim McPhillips Scott McPhillips, Gunter Wolf Henry v.d. Bedem Hillary Yu SMB Group: Linda BrinenLisa Dunn Amanda Prado Funding Support from: NIH NCRR; DOE BER; NIH NIGMS; TSRI; Stanford Graduate Program