4XZX
Shigella flexneri effector OspI C62S mutant
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 | 2011-07-26 |
| Detector | BRUKER SMART 6500 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.368, 91.962, 68.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.110 - 2.200 |
| R-factor | 0.18079 |
| Rwork | 0.177 |
| R-free | 0.24581 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b21 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.717 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.245 |
| Number of reflections | 11184 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 0.2M magnesium acetate, 0.1M sodium cacodylate, 20% PEG8000 |
