1H8Z
Crystal structure of the class D beta-lactamase OXA-13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.730, 81.710, 125.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.197 * |
| Rwork | 0.197 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ewz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 0.021 |
| Data reduction software | MOSFLM (V. 6.0) |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.220 |
| Total number of observations | 167073 * | |
| Number of reflections | 47483 | |
| <I/σ(I)> | 16.9 | 2.8 |
| Completeness [%] | 97.3 | 92.8 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.5 | 18 * | 15-17% (W/V) PEG 4000, 0.1M SODIUM CACODYLATE PH 5.0-5.5, 0.2M LITHIUM SULFATE, PROTEIN 12-15 MG/ML |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12-15 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 15-17 (%(w/v)) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
| 4 | 1 | reservoir | lithium sulfate | 0.2 (M) |
