3WRB
Crystal structure of the anaerobic H124F DESb-Gallate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-10-10 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97951 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.349, 65.519, 117.875 |
Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
Resolution | 58.000 - 2.100 |
R-factor | 0.195 |
Rwork | 0.192 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DesB substrate-free form |
RMSD bond length | 0.011 |
RMSD bond angle | 1.210 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.500 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | |
Number of reflections | 50339 | |
<I/σ(I)> | 15.17 | 6.94 |
Completeness [%] | 98.8 | 98.7 |
Redundancy | 4.4 | 4.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 25% PEG8000, 0.1M SODIUM ACETATE, 0.1M HEPES-NAOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |