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 |