6HG6
Clostridium beijerinckii aldo-keto reductase Cbei_3974 with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | I 4 |
Unit cell lengths | 109.165, 109.165, 72.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.580 - 1.750 |
R-factor | 0.16605 |
Rwork | 0.165 |
R-free | 0.19274 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t79 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.983 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.580 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.082 | 0.809 |
Rmeas | 0.094 | 0.963 |
Number of reflections | 42762 | 3169 |
<I/σ(I)> | 13.3 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7 |
CC(1/2) | 0.997 | 0.725 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 90 mM MOPS pH 7.6, 271 mM NH4Cl2, 2.7% PEG 8K, 10 mM NADPH, 2 mM 4-pyridine methanol |