3FYZ
OXA-24 beta-lactamase complex with SA4-17 inhibitor
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 | 2008-02-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93400 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.760, 102.760, 83.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.720 - 2.100 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jc7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.700 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.101 | 0.616 |
| Number of reflections | 26313 | |
| <I/σ(I)> | 14.8 | 2.3 |
| Completeness [%] | 99.0 | 93.9 |
| Redundancy | 7.3 | 4.4 |
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 |
