7A2B
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D
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 | 2019-11-28 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.820, 80.520, 115.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.260 - 1.399 |
Rwork | 0.144 |
R-free | 0.17500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h07 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.290 |
Data reduction software | XDS (Jan 31, 2020) |
Data scaling software | XSCALE (Jan 31, 2020) |
Phasing software | PHASER (5.8.0258) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.830 | 1.490 |
High resolution limit [Å] | 1.399 | 1.400 |
Rmeas | 0.050 | 0.174 |
Number of reflections | 98425 | 15718 |
<I/σ(I)> | 17.4 | 5.43 |
Completeness [%] | 99.6 | 98.6 |
Redundancy | 4.07 | 3.91 |
CC(1/2) | 0.999 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | Protein solution (10 g/L LbADH, 20mM HEPES/NaOH pH7.0, 1 mM MgCl2) and precipitation buffer (1 mM Tris/HCl pH 7.0, 50 mM MgCl2 and 100 g/L PEG 550 MME) |