8E7U
F93A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 44.245, 50.771, 92.686 |
Unit cell angles | 92.32, 102.96, 109.31 |
Refinement procedure
Resolution | 38.020 - 1.190 |
R-factor | 0.146 |
Rwork | 0.145 |
R-free | 0.15810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dwv |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.020 | 38.020 | 1.210 |
High resolution limit [Å] | 1.190 | 6.540 | 1.190 |
Rmerge | 0.114 | 0.060 | 1.260 |
Rmeas | 0.119 | 0.062 | 1.326 |
Rpim | 0.031 | 0.016 | 0.404 |
Total number of observations | 3069934 | 22296 | 88319 |
Number of reflections | 227252 | 1414 | 8585 |
<I/σ(I)> | 10.2 | 31.4 | 1.6 |
Completeness [%] | 97.3 | 99.4 | 74.5 |
Redundancy | 13.5 | 15.8 | 10.3 |
CC(1/2) | 0.999 | 0.999 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG400 (10%-25%), 2mM NADH, 10mM N-cyclohexylformamide in Tris buffer at pH 8.20 |