7L5T
Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-05-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.940, 95.451, 125.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.910 - 1.880 |
R-factor | 0.1687 |
Rwork | 0.167 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e3u |
RMSD bond length | 0.006 |
RMSD bond angle | 1.321 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.071 | 0.841 |
Rmeas | 0.077 | 0.916 |
Rpim | 0.031 | 0.360 |
Number of reflections | 48753 | 2374 |
<I/σ(I)> | 25.3 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.2 | 6.3 |
CC(1/2) | 0.998 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | Protein: 8.0 mg/ml, 0.01M Tris pH 8.3; Screen - AmSO4 (F6): 0.1M Bicine pH 9.0, 2.4M Ammonium sulfate; Soak & Cryo: 50mM Clavulanic acid, 2M Lithium sulfate, 10 min |