3WPM
Crystal structure of the anaerobic DesB-gallate complex by co-crystallization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2012-05-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.105, 64.185, 117.896 |
Unit cell angles | 90.00, 97.19, 90.00 |
Refinement procedure
Resolution | 43.893 - 2.500 |
R-factor | 0.229 |
Rwork | 0.225 |
R-free | 0.29570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wku |
RMSD bond length | 0.009 |
RMSD bond angle | 1.235 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.300 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 29197 | |
Completeness [%] | 99.8 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 26% PEG8000, 0.1M sodium acetate, 0.1M HEPES-NaOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |