6QW8
Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.538, 45.563, 117.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.500 - 1.100 |
| R-factor | 0.1156 |
| Rwork | 0.115 |
| R-free | 0.13130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hbt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.461 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.540 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rpim | 0.029 | 0.145 |
| Number of reflections | 97874 | 4521 |
| <I/σ(I)> | 19.3 | 5.9 |
| Completeness [%] | 99.7 | |
| Redundancy | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M ammonium sulphate, 0.1 M Tris 8.0 |
