8ECU
F93S 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 | 2020-11-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 |
Unit cell lengths | 44.030, 49.770, 92.570 |
Unit cell angles | 93.27, 102.80, 108.49 |
Refinement procedure
Resolution | 39.270 - 1.300 |
R-factor | 0.143 |
Rwork | 0.142 |
R-free | 0.16440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dwv |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.270 | 39.270 | 1.330 |
High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
Rmerge | 0.099 | 0.068 | 1.280 |
Rmeas | 0.104 | 0.071 | 1.373 |
Total number of observations | 1583338 | ||
Number of reflections | 164848 | 1981 | 11383 |
<I/σ(I)> | 10.75 | 30.51 | 1.47 |
Completeness [%] | 93.0 | 99.1 | 86.6 |
Redundancy | 9.605 | 10.923 | 7.541 |
CC(1/2) | 0.998 | 0.998 | 0.764 |
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 |