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 |