4JF6
Structure of OXA-23 at pH 7.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-08-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 173.662, 173.662, 81.449 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.800 - 2.500 |
R-factor | 0.2296 |
Rwork | 0.227 |
R-free | 0.28470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.832 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.065 | 0.778 |
Number of reflections | 24509 | |
<I/σ(I)> | 20.17 | 2.44 |
Completeness [%] | 99.4 | 98 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M succinic acid, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |