9TOK
Room temperature serial crystal structure of CTX-M-15 class A beta-lactamase, drop on fixed target from PAL-XFEL, 80 ms mixed with avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | PAL-XFEL BEAMLINE NCI |
| Synchrotron site | PAL-XFEL |
| Beamline | NCI |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2024-06-26 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.304197 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.256, 45.871, 118.642 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.320 - 1.500 |
| R-factor | 0.1612 |
| Rwork | 0.160 |
| R-free | 0.19520 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.009 |
| 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] | 59.330 | 1.526 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 40413 | 1974 |
| <I/σ(I)> | 3.569 | 0.759 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 52.86 | 18.56 |
| CC(1/2) | 0.927 | 0.395 |
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 |
