7WGS
Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.029, 125.285, 145.919 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 145.600 - 2.110 |
| R-factor | 0.1879 |
| Rwork | 0.187 |
| R-free | 0.20280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sta |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.447 |
| Data reduction software | autoPROC |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.600 | 2.220 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.095 | 0.736 |
| Number of reflections | 180268 | 111 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 97.6 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M Sodium chloride, 0.1M Sodium acetate trihydrate pH 4.6, 30% v/v (+/-)-2-Methyl-2,4-pentanediol |
