4F94
Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 102.334, 102.334, 87.444 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.370 - 2.400 |
R-factor | 0.17975 |
Rwork | 0.178 |
R-free | 0.21402 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jc7 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.158 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.151 | 0.615 |
Number of reflections | 18309 | |
<I/σ(I)> | 12.3 | 3.67 |
Completeness [%] | 97.5 | 100 |
Redundancy | 7.2 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1% (v/v) PEG 400, 1.0 M Ammonium Sulfate, 0.05 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |