4S2M
Crystal Structure of OXA-163 complexed with iodide in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-01-01 |
| Detector | RIGAKU |
| Spacegroup name | P 1 |
| Unit cell lengths | 67.630, 68.410, 70.223 |
| Unit cell angles | 62.20, 68.00, 71.58 |
Refinement procedure
| Resolution | 59.801 - 2.870 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.494 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.801 | 2.990 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Number of reflections | 22060 | |
| Completeness [%] | 75.0 | 91.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 298 | 0.1M Sodium Iodine 15% w/v PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
