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 |