9TOC
CTX-M-15 class A beta-lactamase mixed with avibactam for 10 s, cryo crystal structure
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 | 2021-01-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.69998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.425, 45.588, 117.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.450 - 0.940 |
| R-factor | 0.1395 |
| Rwork | 0.139 |
| R-free | 0.15020 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.299 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.420 | 0.960 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rpim | 0.035 | 0.842 |
| Number of reflections | 154462 | 7442 |
| <I/σ(I)> | 9.5 | 0.4 |
| Completeness [%] | 99.2 | |
| Redundancy | 13.2 | |
| CC(1/2) | 0.999 | 0.287 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 2.0 M ammonium sulphate, 0.1 M Tris 8.0 |
