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 |