5A5W
Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 46.607, 46.607, 197.949 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.363 - 1.600 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ahf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.198 |
| 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] | 40.360 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.030 | 0.370 |
| Number of reflections | 63157 | |
| <I/σ(I)> | 20.69 | 3.5 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 3.1 | 3.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 0.1 M BICINE PH9.0, 20 % W/V PEG 6000 |
