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 |
