4TT9
Structure of the C-terminal SpoA domain of Shigella flexneri Spa33
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.300, 27.820, 104.440 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 51.300 - 2.300 |
| R-factor | 0.1768 |
| Rwork | 0.174 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yab 1o9y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.300 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.042 | 0.770 |
| Number of reflections | 13523 | |
| <I/σ(I)> | 21.3 | 2.1 |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 10% (v/v) isopropanol, 0.1 M Na HEPES pH7.0, 10% (w/v) PEG 4000 |
