7R0P
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.980, 86.161, 147.652 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.770 - 1.600 |
Rwork | 0.156 |
R-free | 0.17710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rrm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.430 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.770 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rpim | 0.036 | 0.309 |
Number of reflections | 98360 | 4837 |
<I/σ(I)> | 11.6 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 10.77 |
CC(1/2) | 0.998 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295.15 | 0.1M Sodium acetate pH 4.5, 15% w/v PEG 3350, 0.25M Sodium formate |