7QNI
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-28 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.412, 108.360, 123.902 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.239 - 1.730 |
Rwork | 0.183 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rrm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.281 |
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] | 54.240 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rpim | 0.021 | 0.494 |
Number of reflections | 39368 | 2151 |
<I/σ(I)> | 18 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.23 | 13.4 |
CC(1/2) | 0.999 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295.15 | 0.1M Sodium citrate, pH 5.6; 20% w/v PEG 4000 |