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 |