9CM6
Horse liver alcohol dehydrogenase V203L in complex with NADH and N-cylcohexyl formamide
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 | 2024-04-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 44.246, 50.393, 92.808 |
Unit cell angles | 92.75, 102.92, 109.01 |
Refinement procedure
Resolution | 37.870 - 1.470 |
R-factor | 0.1583 |
Rwork | 0.158 |
R-free | 0.18780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.943 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.700 | 1.490 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.131 | 1.421 |
Rmeas | 0.140 | 1.527 |
Rpim | 0.050 | 0.556 |
Total number of observations | 869781 | 37888 |
Number of reflections | 114028 | 5144 |
<I/σ(I)> | 9 | 1.5 |
Completeness [%] | 91.1 | |
Redundancy | 7.6 | 7.4 |
CC(1/2) | 0.996 | 0.834 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 400, Tris Buffer |