9TOH
Room temperature serial crystal structure of CTX-M-15 class A beta-lactamase mixed with avibactam for 600 s
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-01-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.273, 45.986, 118.829 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.410 - 1.700 |
| R-factor | 0.1287 |
| Rwork | 0.127 |
| R-free | 0.16480 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.039 |
| 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] | 59.414 | 1.729 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 28078 | 1347 |
| <I/σ(I)> | 4.881 | 2.228 |
| Completeness [%] | 100.0 | 99.93 |
| Redundancy | 43.56 | 13.7 |
| CC(1/2) | 0.971 | 0.796 |
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, with crystal seed |
