3FV7
OXA-24 beta-lactamase complex with SA4-44 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.390, 102.390, 84.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.800 - 2.000 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jc7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.800 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.540 |
| Number of reflections | 30828 | |
| <I/σ(I)> | 21.2 | 4.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.6 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M sodium acetate, 28% PEG 2000 MME, 0.1M HEPES (pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
