5MOX
OXA-10 Avibactam complex with bound CO2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.751, 96.635, 126.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.760 - 1.410 |
| Rwork | 0.158 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fq9 |
| Data reduction software | XDS |
| Phasing software | PHASER (1.11.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.760 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.179 | 3.083 |
| Number of reflections | 115816 | |
| <I/σ(I)> | 9.5 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.9 | 12.6 |
| CC(1/2) | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M Sodium citrate tribasic dihydrate, 0.1M Bis-Tris propane 7.5, 20 % w/v PEG 3350 |
