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 |
