6MZ1
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.220, 106.720, 47.810 |
| Unit cell angles | 90.00, 101.79, 90.00 |
Refinement procedure
| Resolution | 42.861 - 1.000 |
| R-factor | 0.1422 |
| Rwork | 0.141 |
| R-free | 0.16130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ua6 |
| Data reduction software | iMOSFLM (7.2.2) |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.270 | 44.270 | 1.020 |
| High resolution limit [Å] | 1.000 | 5.480 | 1.000 |
| Rmerge | 0.104 | 0.050 | 0.823 |
| Number of reflections | 230291 | 1499 | 11452 |
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 96.7 | 99.9 | 97.1 |
| Redundancy | 3 | 3.7 | 3 |
| CC(1/2) | 0.961 | 0.985 | 0.388 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 1.0 M Potassium Phosphate |
