4A5R
Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with tazobactam
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 | 2011-09-29 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.955, 103.550, 63.732 |
Unit cell angles | 90.00, 94.77, 90.00 |
Refinement procedure
Resolution | 34.720 - 2.100 |
R-factor | 0.18469 |
Rwork | 0.182 |
R-free | 0.23344 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y91 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.236 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.260 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.390 |
Number of reflections | 35366 | |
<I/σ(I)> | 8.7 | 2.5 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | pH 4 |