2WKH
Crystal structure of the acyl-enzyme OXA-10 K70C-Ampicillin at pH 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-13 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.920, 97.090, 126.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.444 - 1.791 |
| R-factor | 0.2032 |
| Rwork | 0.200 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.160 | 0.900 |
| Number of reflections | 47137 | |
| <I/σ(I)> | 10.7 | 2.2 |
| Completeness [%] | 82.1 | 59 |
| Redundancy | 7.9 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.7M AS, 0.1M HEPES PH 7 |
