4XRA
Salmonella typhimurium AhpC T43S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97741 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 127.069, 171.920, 135.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.277 - 1.750 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ma9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.197 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.700 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 148354 | |
| <I/σ(I)> | 11.8 | 0.6 |
| Completeness [%] | 99.9 | 91.1 |
| Redundancy | 13.2 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 300 | 1.2 M ammonium sulfate, 24% glycerol, 0.1 M Tris pH 7.3 |
