6JIS
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2018-06-22 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.850, 60.374, 76.755 |
| Unit cell angles | 90.00, 116.09, 90.00 |
Refinement procedure
| Resolution | 32.240 - 1.820 |
| R-factor | 0.19797 |
| Rwork | 0.195 |
| R-free | 0.24861 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jiw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.405 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.240 | 1.860 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.100 | 0.483 |
| Number of reflections | 25303 | 1523 |
| <I/σ(I)> | 12.9 | 4.5 |
| Completeness [%] | 96.8 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.5, 25% pEG 3350. |
