9TO7
Room temperature serial crystal structure of CTX-M-15 class A beta-lactamase, drop on fixed target from DLS, 1.3 s checkerboard control (300 mM avibactam)
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 | 2024-08-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.6199 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.254, 45.750, 118.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.240 - 1.620 |
| R-factor | 0.2078 |
| Rwork | 0.205 |
| R-free | 0.25150 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.752 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.240 | 1.679 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 32088 | 1572 |
| <I/σ(I)> | 1.328 | 1.328 |
| Completeness [%] | 100.0 | 99.94 |
| Redundancy | 37.49 | 15.06 |
| CC(1/2) | 0.308 | 0.308 |
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 |
