9D7C
OXA-58-NA-1-157 10 min complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.010, 65.771, 193.101 |
| Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
| Resolution | 54.410 - 1.940 |
| R-factor | 0.21995 |
| Rwork | 0.218 |
| R-free | 0.24871 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.044 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.410 | 1.980 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmeas | 0.205 | |
| Rpim | 0.080 | 0.640 |
| Number of reflections | 62529 | 2799 |
| <I/σ(I)> | 5.3 | 1.2 |
| Completeness [%] | 91.3 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.981 | 0.558 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 30% PEG4000 |
