4XS4
Salmonella typhimurium AhpC C165S 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 | 2013-06-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 127.045, 172.100, 136.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.105 - 2.650 |
| R-factor | 0.2036 |
| Rwork | 0.202 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ma9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.024 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.700 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 43671 | |
| <I/σ(I)> | 6.1 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.1 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 300 | Pretreatment with 2 mM mercaptoethanol, then crystallized in 1.4 M MgSO4, 0.1 M MES, 10 mM hydrogen peroxide, pH 6.5. |
