4UAA
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.75142 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.968, 106.692, 47.664 |
| Unit cell angles | 90.00, 102.08, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.860 |
| Rwork | 0.121 |
| R-free | 0.13350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p74 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.032 |
| Data scaling software | HKL-2000 |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 0.860 |
| Rmerge | 0.059 |
| Number of reflections | 361807 |
| <I/σ(I)> | 18.9 |
| Completeness [%] | 97.4 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.0M Potassium Phosphate |
