3FZC
OXA-24 beta-lactamase complex with SA3-53 inhibitor
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 | 2008-06-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9330 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 102.520, 102.520, 84.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.850 - 2.000 |
R-factor | 0.224 |
Rwork | 0.221 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jc7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.850 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.078 | 0.564 |
Number of reflections | 30978 | |
<I/σ(I)> | 21.8 | 4.6 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 9.5 | 9.5 |
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 |