8RMA
Structure of CTX-M-15 complexed with benzoxaborole AK-431
This is a non-PDB format compatible entry.
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 | 2023-11-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.66622 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.700, 45.560, 117.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.030 - 0.830 |
| R-factor | 0.129 |
| Rwork | 0.129 |
| R-free | 0.13820 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.976 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.260 | 0.840 |
| High resolution limit [Å] | 0.830 | 0.830 |
| Rpim | 0.033 | 0.670 |
| Number of reflections | 225963 | 11207 |
| <I/σ(I)> | 9.4 | 0.4 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 13.3 | 12.2 |
| CC(1/2) | 0.999 | 0.342 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292.15 | 2.0 M ammonium sulphate, 0.1 M Tris 8.0 |
