4JF4
OXA-23 meropenem 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 | 2012-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.467, 44.533, 131.367 |
| Unit cell angles | 90.00, 94.93, 90.00 |
Refinement procedure
| Resolution | 36.817 - 2.140 |
| R-factor | 0.2021 |
| Rwork | 0.199 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.284 |
| 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] | 36.900 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.093 | 0.627 |
| Number of reflections | 30804 | |
| <I/σ(I)> | 12.5 | 2.23 |
| Completeness [%] | 97.2 | 85.9 |
| Redundancy | 4.6 |
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 |
