6Y10
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H
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 | 2019-09-12 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.96600 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.050, 80.570, 113.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.010 - 1.220 |
R-factor | 0.1391 |
Rwork | 0.138 |
R-free | 0.16390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h07 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.489 |
Data reduction software | XDS (Mar 15, 2019) |
Data scaling software | XSCALE (Mar 15, 2019) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.010 | 1.250 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 75851 | 5601 |
<I/σ(I)> | 13.49 | |
Completeness [%] | 99.1 | 99.4 |
Redundancy | 6.96 | |
CC(1/2) | 0.999 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | Protein solution (10 g/L LbADH , 20 mM HEPES/NaOH pH 7.0, 1 mM MgCl2 and precipitation buffer (1 mM Tris/HCl pH 7.0, 50 mM MgCl2 and 100 g/L PEG 550 MME) |