6Y1B
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant K32A_Q126K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000089622351307 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 56.280, 82.030, 114.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.970 - 1.400 |
R-factor | 0.1066 |
Rwork | 0.105 |
R-free | 0.13550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h07 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.535 |
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] | 47.000 | 1.490 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 102746 | 29422 |
<I/σ(I)> | 16.34 | |
Completeness [%] | 99.6 | 90.8 |
Redundancy | 6.17 | |
CC(1/2) | 0.999 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | Protein solution (5 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 50 g/L PEG 550 MME) |