6PKA
Structure of ClpP from Staphylococcus aureus in complex with ureadepsipeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.957, 126.681, 146.776 |
| Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
| Resolution | 40.610 - 2.250 |
| R-factor | 0.1956 |
| Rwork | 0.194 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sta |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.205 | 0.172 | 0.663 |
| Rmeas | 0.234 | 0.193 | 0.751 |
| Rpim | 0.110 | 0.086 | 0.344 |
| Total number of observations | 672138 | ||
| Number of reflections | 160858 | 8361 | 8058 |
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 97.5 | 99.1 | 97.8 |
| Redundancy | 4.2 | 4.2 | 4.4 |
| CC(1/2) | 0.957 | 0.656 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291.15 | 0.1 M NaOAc pH 4.5, 18-35% MPD, and 0.02 M CaCl2 |
