6V8V
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00008 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 41.273, 41.273, 231.629 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.440 - 1.800 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.18940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.204 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.420 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 | 0.118 |
| Rmeas | 0.107 | 0.158 |
| Rpim | 0.063 | 0.109 |
| Number of reflections | 21924 | 916 |
| <I/σ(I)> | 11.72 | 4.81 |
| Completeness [%] | 97.9 | |
| Redundancy | 4.8 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M PCB buffer pH 6, 25% (w/v) PEG 1500 |
