4X55
Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.779, 143.862, 44.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.941 |
| R-factor | 0.21181 |
| Rwork | 0.209 |
| R-free | 0.26188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k0x |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.609 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 143.900 | 1.948 |
| High resolution limit [Å] | 1.941 | 1.941 |
| Rmerge | 0.070 | |
| Number of reflections | 47536 | |
| <I/σ(I)> | 15.2 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 100 mM NaH2PO4, 100 mM citric acid, 200 mM NaCl, 20% PEG 8000, pH 4.2 |
