4JF6
Structure of OXA-23 at pH 7.0
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 | 2012-08-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 173.662, 173.662, 81.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.800 - 2.500 |
| R-factor | 0.2296 |
| Rwork | 0.227 |
| R-free | 0.28470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.832 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.065 | 0.778 |
| Number of reflections | 24509 | |
| <I/σ(I)> | 20.17 | 2.44 |
| Completeness [%] | 99.4 | 98 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M succinic acid, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
