3BZ4
Crystal structure of Fab F22-4 in complex with a Shigella flexneri 2a O-Ag decasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-06-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.060, 137.600, 109.800 |
| Unit cell angles | 90.00, 95.15, 90.00 |
Refinement procedure
| Resolution | 47.920 - 1.800 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c5s; chains C and D |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.483 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.946 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.105 | 0.622 |
| Number of reflections | 182390 | |
| <I/σ(I)> | 5.5 | 1.1 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 290 | 25% PEG 5000 MMe, 0.2M Li2SO4, 0.1M Tris, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
