9NSW
apo-OXA-23, pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 82.771, 82.771, 84.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.770 - 1.400 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.812 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.770 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.080 | |
| Rpim | 0.016 | 0.505 |
| Number of reflections | 58626 | 2978 |
| <I/σ(I)> | 22.9 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 25.9 | |
| CC(1/2) | 1.000 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350 |
