3BFJ
Crystal structure analysis of 1,3-propanediol oxidoreductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.939 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.937, 226.611, 232.627 |
Unit cell angles | 90.00, 92.91, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.20534 |
Rwork | 0.203 |
R-free | 0.25094 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.175 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.061 | 0.341 |
Number of reflections | 253221 | |
<I/σ(I)> | 5.7 | 1.3 |
Completeness [%] | 97.7 | 89.5 |
Redundancy | 1.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 12% PEG 20K, 0.1 M MES, PH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |