6ZXI
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
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 | 2019-05-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 44.798, 105.106, 125.426 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.610 - 1.850 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.617 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.850 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.068 | 0.871 |
| Number of reflections | 51511 | 7403 |
| <I/σ(I)> | 14.8 | 2.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES (pH 7,5), 12% PEG 4000, 3% 1-butanol |
