6NZ8
Structure of carbamylated apo OXA-231 carbapenemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 104.9 |
| Detector technology | PIXEL |
| Collection date | 2017-03-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.786, 54.786, 96.243 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.770 - 1.200 |
| R-factor | 0.1677 |
| Rwork | 0.167 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jc7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.959 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.013 | |
| Rmeas | 0.018 | |
| Number of reflections | 65867 | 6377 |
| <I/σ(I)> | 23.68 | |
| Completeness [%] | 98.4 | 96.01 |
| Redundancy | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0,1 M Tris pH 8,5; 2,0 M Ammonium Sulfate, 50 mM sodium phosphate; 25 mM sodium bicarbonate; 25 mM sodium sulfate; sodium chloride. |
