3WR3
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 | 2010-03-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.350, 64.020, 118.483 |
Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
Resolution | 19.695 - 2.500 |
R-factor | 0.2355 |
Rwork | 0.231 |
R-free | 0.31300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wku |
RMSD bond length | 0.010 |
RMSD bond angle | 1.335 |
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 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 68790 | |
Completeness [%] | 90.9 | 91.7 |
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 |