4JF5
Structure of OXA-23 at pH 4.1
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 | 2012-04-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.919, 49.651, 44.121 |
| Unit cell angles | 90.00, 96.97, 90.00 |
Refinement procedure
| Resolution | 38.700 - 1.150 |
| R-factor | 0.1411 |
| Rwork | 0.140 |
| R-free | 0.16220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.342 |
| 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] | 38.715 | 1.180 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.035 | 0.664 |
| Number of reflections | 95345 | |
| <I/σ(I)> | 17.92 | 1.99 |
| Completeness [%] | 93.7 | 87.8 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.1 | 277 | 0.06 M citric acid/0.04 M bis-tris propane, 16 % PEG3350, pH 4.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
