3ZNY
Crystal structure of the class A extended-spectrum beta-lactamase CTX- M-96, a natural D240G mutant derived from CTX-M-12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.569, 45.586, 117.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.500 - 1.200 |
| R-factor | 0.14171 |
| Rwork | 0.140 |
| R-free | 0.16658 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.366 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.590 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 75509 | |
| <I/σ(I)> | 28.1 | 6.7 |
| Completeness [%] | 98.8 | 91.8 |
| Redundancy | 11.9 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
