5ABT
S.enterica HisA mutant D7N, G102A, V106M, D176A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 46.555, 46.555, 196.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.318 - 1.650 |
| R-factor | 0.1656 |
| Rwork | 0.165 |
| R-free | 0.18740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a5w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.440 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.120 | 0.410 |
| Number of reflections | 112168 | |
| <I/σ(I)> | 6.64 | 2.05 |
| Completeness [%] | 97.8 | 97.4 |
| Redundancy | 2.55 | 2.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | MORPHEUS SCREEN H9, pH 8.5 |
