6UNB
Crystal structure of CTX-M-14 in complex with temocillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-06 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.110, 106.460, 47.670 |
| Unit cell angles | 90.00, 101.92, 90.00 |
Refinement procedure
| Resolution | 46.690 - 1.300 |
| R-factor | 0.1268 |
| Rwork | 0.125 |
| R-free | 0.16710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ua6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.448 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.230 | 46.642 | 1.370 |
| High resolution limit [Å] | 1.296 | 4.100 | 1.300 |
| Rmerge | 0.028 | 0.581 | |
| Rmeas | 0.095 | 0.032 | 0.687 |
| Rpim | 0.049 | 0.016 | 0.362 |
| Total number of observations | 402420 | 13303 | 56139 |
| Number of reflections | 108653 | 3516 | 15770 |
| <I/σ(I)> | 10 | 30.6 | 2 |
| Completeness [%] | 99.9 | 100 | 99.2 |
| Redundancy | 3.7 | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.2 M potassium phosphate pH 8.3 |
