3B21
Crystal structure of OspI from Shigella flexineri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-13 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.90 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.699, 91.237, 67.862 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.620 - 2.010 |
| R-factor | 0.18359 |
| Rwork | 0.181 |
| R-free | 0.22562 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.966 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.350 |
| Number of reflections | 14220 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 0.1M MES, 0.1M NaAcetate, 1.0M NaCl, 24%(w/v) PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
