2Y91
Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with clavulanic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-01-24 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.788, 103.790, 63.647 |
Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
Resolution | 34.130 - 2.000 |
R-factor | 0.18058 |
Rwork | 0.179 |
R-free | 0.21945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x71 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.206 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.530 |
Number of reflections | 40601 | |
<I/σ(I)> | 9.2 | 2.2 |
Completeness [%] | 99.3 | 98.9 |
Redundancy | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.5 | pH 3.5 |