4YIN
Crystal structure of the extended-spectrum beta-lactamase OXA-145
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 | 2011-02-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.725, 91.182, 125.284 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.590 - 2.300 |
R-factor | 0.19198 |
Rwork | 0.189 |
R-free | 0.24787 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | OXA-10 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.614 |
Data reduction software | XDS (12.6.2010) |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.2.1) |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.590 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.086 | 0.403 |
Number of reflections | 22869 | |
<I/σ(I)> | 3.7 | 2.2 |
Completeness [%] | 98.2 | 91 |
Redundancy | 3.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% (V/V) PEG3350, di-Ammonium hydrogen citrate |