6VHS
Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.250, 106.920, 47.870 |
| Unit cell angles | 90.00, 101.81, 90.00 |
Refinement procedure
| Resolution | 53.520 - 1.280 |
| R-factor | 0.1295 |
| Rwork | 0.129 |
| R-free | 0.14850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6mz1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.051 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 106.920 | 53.460 | 1.340 |
| High resolution limit [Å] | 1.275 | 4.030 | 1.280 |
| Rmerge | 0.046 | 0.097 | |
| Rmeas | 0.069 | 0.054 | 0.114 |
| Rpim | 0.036 | 0.028 | 0.058 |
| Total number of observations | 402946 | 12850 | 60425 |
| Number of reflections | 111890 | 3496 | 16370 |
| <I/σ(I)> | 13.5 | 20 | 9.1 |
| Completeness [%] | 96.9 | 94.1 | 97.3 |
| Redundancy | 3.6 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293 | 1.2 M potassium phosphate pH 7.9 |
