9G6I
Crystal structure of S. epidermidis ClpP in complex with bortezomib - cocrystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.340, 124.000, 127.840 |
| Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
| Resolution | 44.960 - 1.740 |
| R-factor | 0.1779 |
| Rwork | 0.178 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.062 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.960 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 300453 | 29956 |
| <I/σ(I)> | 11.89 | |
| Completeness [%] | 99.0 | |
| Redundancy | 6.9 | |
| CC(1/2) | 1.000 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293.15 | 0.5 M NaOAc (pH 4.5), 30 - 40% (v/v) MPD, and 30 - 40 mM CaCl2 |
