9K2D
Structure of ClpP from Staphylococcus aureus in complex with ZY39
This is a non-PDB format compatible entry.
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 | 2022-10-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.659, 190.444, 96.562 |
| Unit cell angles | 90.00, 117.40, 90.00 |
Refinement procedure
| Resolution | 95.220 - 1.980 |
| R-factor | 0.20873 |
| Rwork | 0.208 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.016 |
| Data reduction software | HKL-2000 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 95.220 | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.105 | 0.066 | 0.714 |
| Rmeas | 0.115 | 0.072 | 0.790 |
| Rpim | 0.045 | 0.028 | 0.333 |
| Number of reflections | 266038 | 27216 | 26173 |
| <I/σ(I)> | 6 | ||
| Completeness [%] | 98.8 | 99.9 | 97.5 |
| Redundancy | 5.9 | 6.7 | 5.3 |
| CC(1/2) | 0.994 | 0.996 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 35%(w/v) 2-methyl-2,4-pentanediol (MDP), 100 mM MES/NaOH (pH = 6.0), 200 mM lithium sulfate |
