8OF1
Structure of ALDH5F1 from moss Physcomitrium patens in complex with NAD+ in the contracted conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97856 |
Spacegroup name | H 3 2 |
Unit cell lengths | 212.505, 212.505, 186.740 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.820 - 1.810 |
R-factor | 0.1733 |
Rwork | 0.172 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.070 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 106.250 | 106.250 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.132 | 1.561 |
Number of reflections | 77952 | 3898 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 53.4 | |
Redundancy | 20 | |
CC(1/2) | 0.998 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 1.7M LiSO4 |