7WID
Crystal structure of Staphylococcus aureus ClpP in complex with ZG180
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.178, 126.385, 145.449 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.1972 |
| Rwork | 0.197 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sta |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.637 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.113 | 0.080 | 0.791 |
| Rmeas | 0.122 | 0.086 | 0.879 |
| Rpim | 0.046 | 0.032 | 0.373 |
| Total number of observations | 1787498 | ||
| Number of reflections | 266629 | 27203 | 24333 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 98.9 | 99.7 | 90.7 |
| Redundancy | 6.7 | 6.9 | 5.2 |
| CC(1/2) | 0.993 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 30% (v/v) 2-Methyl-2,4-Pentanediol, 100mM Sodium acetate/HCl pH 8.0, 20mM Calcium chloride |
