7P7Y
X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-14 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.840, 80.040, 114.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.796 - 1.250 |
Rwork | 0.101 |
R-free | 0.11750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7p36 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.778 |
Data reduction software | XDS (Jan 31, 2020) |
Data scaling software | XSCALE (Jan 31, 2020) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.320 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmeas | 0.033 | 0.109 |
Number of reflections | 71194 | 10958 |
<I/σ(I)> | 49.61 | 14.32 |
Completeness [%] | 99.2 | 95.3 |
Redundancy | 11.62 | |
CC(1/2) | 1.000 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 293 | 50 mM Tris/HCl, 25 mM magnesium chloride, 5 % (w/v) PEG 550, 10 mM HEPES |