9IRP
Structure of ClpP from Staphylococcus aureus in complex with ZG297
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 | 2020-07-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.581, 190.320, 96.401 |
| Unit cell angles | 90.00, 117.80, 90.00 |
Refinement procedure
| Resolution | 29.859 - 1.901 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.109 |
| Data reduction software | autoPROC |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.0) |
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 | 0.093 | 0.056 | 0.442 |
| Number of reflections | 228483 | 23488 | 21625 |
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 97.1 | 99 | 92 |
| Redundancy | 4.9 | 6.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 30% v/v (+/-)-2-methyl-2,4-pentanediol, 0.1 M sodium acetate trihydrate (pH 4.6), 0.2 M sodium chloride |
