7KHQ
Crystal structure of OXA-48 K73A in complex with meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.977408 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 44.285, 105.487, 125.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.240 - 2.000 |
| R-factor | 0.2087 |
| Rwork | 0.207 |
| R-free | 0.23620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.616 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19rc3_4028) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.240 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.666 |
| Number of reflections | 40232 | 1925 |
| <I/σ(I)> | 11.02 | 1.2 |
| Completeness [%] | 99.1 | 98 |
| Redundancy | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200 mM lithium acetate dihydrate and 20% w/v PEG 3350 |
