7QLS
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-11 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.262, 86.432, 137.833 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.333 - 2.400 |
Rwork | 0.197 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rrm |
RMSD bond length | 0.004 |
RMSD bond angle | 1.282 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.340 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rpim | 0.034 | 0.349 |
Number of reflections | 29415 | 3029 |
<I/σ(I)> | 14.1 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.3 | 13.7 |
CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295.15 | 0.1 M Sodium acetate pH 4.5; 20 % (w/v) PEG 8000; 0.2 M NaF |