4Y0U
Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-07-31 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.943, 65.659, 191.594 |
| Unit cell angles | 90.00, 91.70, 90.00 |
Refinement procedure
| Resolution | 36.927 - 2.600 |
| R-factor | 0.22122 |
| Rwork | 0.219 |
| R-free | 0.26127 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.930 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.150 | 0.430 |
| Number of reflections | 21118 | |
| <I/σ(I)> | 8.45 | |
| Completeness [%] | 87.3 | 69.3 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris base/Hydrochloric acid (pH 8.0), 30% (w/v) PEG 3350 |
