4A5P
Structure of the Shigella flexneri MxiA protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-24 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 63 |
| Unit cell lengths | 160.610, 160.610, 100.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.720 - 3.150 |
| R-factor | 0.2317 |
| Rwork | 0.231 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x4a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.880 |
| Data reduction software | xia2 (XDS) |
| Data scaling software | xia2 (SCALA) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.500 | 3.240 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.080 | 0.540 |
| Number of reflections | 23949 | |
| <I/σ(I)> | 11.5 | 2 |
| Completeness [%] | 94.3 | 96 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 282 | 0.1M SODIUM HEPES PH 7.5, 10% (W/V) PEG 8000, 8% ETHYLENE GLYCOL 282K |
