3WR4
Crystal structure of the anaerobic DesB-gallate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-04-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.73912 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.303, 63.905, 118.295 |
Unit cell angles | 90.00, 96.98, 90.00 |
Refinement procedure
Resolution | 19.990 - 2.400 |
R-factor | 0.2252 |
Rwork | 0.221 |
R-free | 0.29460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wku |
RMSD bond length | 0.009 |
RMSD bond angle | 1.314 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: dev_1539)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.520 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 56954 | |
Completeness [%] | 85.9 | 66.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 277 | 25% PEG8000, 0.1M sodium acetate, 0.1M HEPES-NaOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 277K |