6CYU
Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.977408 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.399, 41.399, 230.610 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.427 - 1.820 |
R-factor | 0.1595 |
Rwork | 0.157 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylt |
RMSD bond length | 0.006 |
RMSD bond angle | 0.819 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3071: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.427 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.055 | 0.106 |
Number of reflections | 21719 | |
<I/σ(I)> | 25.6 | |
Completeness [%] | 99.8 | |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.2 M MgCl2, 20% (w/v) PEG 3350 |