4UA9
CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.75142 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.074, 106.632, 47.684 |
| Unit cell angles | 90.00, 102.18, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.840 |
| R-factor | 0.1223 |
| Rwork | 0.122 |
| R-free | 0.13130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p74 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| Data scaling software | HKL-2000 |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 0.840 |
| Rmerge | 0.072 |
| Number of reflections | 408001 |
| <I/σ(I)> | 23.3 |
| Completeness [%] | 99.6 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293 | 1.0M Potassium Phosphate |
