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 |