9UY1
Crystal structure of UMPK from S. aureus in complex with ATP and GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97902 |
| Spacegroup name | P 32 |
| Unit cell lengths | 194.788, 194.788, 118.746 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.697 - 2.880 |
| R-factor | 0.205557077968 |
| Rwork | 0.203 |
| R-free | 0.25781 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.595 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 2.930 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.150 | 0.877 |
| Number of reflections | 114053 | 5704 |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.998 | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.7 M Ammonium tartrate dibasic, 0.1 M Tris pH 8.5, 0.1 M Adenosine-5'-triphosphate disodium salt hydrate |
