6QW9
Crystal structure of KPC-2 complexed with relebactam (16 hour soak)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.78 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.925, 78.535, 55.843 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.840 - 1.040 |
| R-factor | 0.1162 |
| Rwork | 0.115 |
| R-free | 0.13380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ul8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.325 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.840 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rpim | 0.044 | 0.774 |
| Number of reflections | 126716 | 6221 |
| <I/σ(I)> | 10.5 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M ammonium sulphate, 5% ethanol |
