4Z9Q
Crystal structure of OXA-58 with disordered active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-10-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.360, 39.790, 72.090 |
Unit cell angles | 90.00, 91.20, 90.00 |
Refinement procedure
Resolution | 37.380 - 2.230 |
R-factor | 0.1951 |
Rwork | 0.192 |
R-free | 0.25259 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.315 |
Data reduction software | SCALA |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.380 | 2.314 |
High resolution limit [Å] | 2.230 | 2.235 |
Rmerge | 0.030 | 0.150 |
Number of reflections | 10289 | |
<I/σ(I)> | 16.39 | 5.84 |
Completeness [%] | 98.3 | 93.1 |
Redundancy | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 1500 |