1M7I
CRYSTAL STRUCTURE OF A MONOCLONAL FAB SPECIFIC FOR SHIGELLA FLEXNERI Y LIPOPOLYSACCHARIDE COMPLEXED WITH A PENTASACCHARIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 281 |
Detector technology | IMAGE PLATE |
Collection date | 1990-06-02 |
Detector | FUJI |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.510, 70.510, 203.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.27900 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mcp |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.400 * |
Data reduction software | WEIS |
Data scaling software | WEIS |
Phasing software | MERLOT |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.097 | |
Total number of observations | 108148 * | |
Number of reflections | 14375 | |
<I/σ(I)> | 10 | |
Completeness [%] | 79.6 | 55.2 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | Vyas, M.N., (1993) J. Mol. Biol., 231, 133. * |