8R04
Structure of Staphylococcus aureus ClpP Bound to the Covalent Active Site Inhibitor Cystargolide A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.970, 154.350, 109.710 |
| Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.16235 |
| Rwork | 0.160 |
| R-free | 0.20743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.278 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.071 | 0.619 |
| Number of reflections | 182906 | 24273 |
| <I/σ(I)> | 10.9 | 2.7 |
| Completeness [%] | 97.6 | 99.6 |
| Redundancy | 2.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M diammonium tartrate, 40% MPD |
