4QUK
Crystal Structure of Cinnamyl-Alcohol Dehydrogenase 2 Mutant K169A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2012-08-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.797, 76.565, 106.045 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.560 - 1.900 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.22500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4qtz |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.560 | 2.020 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.039 | 0.130 |
Number of reflections | 24741 | |
<I/σ(I)> | 42.2 | 10.2 |
Completeness [%] | 98.6 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | 25% PEG3350, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, temperature 277K |