3HBR
Crystal structure of OXA-48 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.701, 107.185, 80.787 |
| Unit cell angles | 90.00, 111.04, 90.00 |
Refinement procedure
| Resolution | 30.510 - 1.900 |
| R-factor | 0.22315 |
| Rwork | 0.217 |
| R-free | 0.28618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4f |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.609 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.514 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 71756 | |
| <I/σ(I)> | 5.3 | 3.6 |
| Completeness [%] | 99.0 | 99.4 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES, 10% PEG 4000, 8% 1-BUTANOL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
