4MLL
The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed with oxacillin
Replaces: 4F7YExperimental 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 | 2012-03-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.919, 72.609, 73.446 |
| Unit cell angles | 80.90, 69.87, 71.44 |
Refinement procedure
| Resolution | 33.230 - 1.370 |
| R-factor | 0.16476 |
| Rwork | 0.163 |
| R-free | 0.19581 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m6k |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.660 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.065 | 0.421 |
| Number of reflections | 187539 | |
| <I/σ(I)> | 9.5 | 3.2 |
| Completeness [%] | 94.9 | 91.6 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% (w/v) PEG 6000, 0.1 M NaCl, 0.05 M MES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K, temperature 298.0K |
