4Y0T
Crystal structure of apo form of OXA-58, a Carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii (P21, 4mol/ASU)
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 | 2014-05-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.017, 65.095, 191.964 |
Unit cell angles | 90.00, 91.28, 90.00 |
Refinement procedure
Resolution | 34.790 - 2.300 |
R-factor | 0.19651 |
Rwork | 0.194 |
R-free | 0.24328 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.675 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.790 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.120 | 0.420 |
Number of reflections | 37470 | |
<I/σ(I)> | 9.15 | |
Completeness [%] | 91.2 | 74.8 |
Redundancy | 2.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris base/Hydrochloric acid (pH 8.0) and 28% (w/v) PEG 3350 |