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 |