7QLG
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.780, 55.360, 107.690 |
Unit cell angles | 90.00, 103.67, 90.00 |
Refinement procedure
Resolution | 51.661 - 2.000 |
Rwork | 0.186 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rrm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.382 |
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] | 51.661 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.153 | 0.752 |
Number of reflections | 53704 | 53704 |
<I/σ(I)> | 7.4 | 2.4 |
Completeness [%] | 98.9 | 99.2 |
Redundancy | 3.14 | 3.25 |
CC(1/2) | 0.971 | 0.414 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295.15 | 50.64mM Sodium acetate trihydrate, pH 4.5, 15%w/v PEG 3350, 200mM Sodium Formate |