6Y0S
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E
This is a non-PDB format compatible entry.
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) | 1.000 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 55.620, 81.150, 115.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.068 - 1.440 |
Rwork | 0.130 |
R-free | 0.16840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h07 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.280 |
Data reduction software | XDS (Mar 15, 2019) |
Data scaling software | XSCALE (Mar 15, 2019) |
Phasing software | PHASES (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.068 | 1.470 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmeas | 0.109 | |
Number of reflections | 94960 | 6977 |
<I/σ(I)> | 16.16 | 2.06 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 12.9 | 13 |
CC(1/2) | 0.999 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Protein solution ( 10 g/L LbADH , 20 mM HEPES/NaOH pH 7.0, 1 mM MgCl2 and precipitation buffer (100 mM Tris/HCl pH 7.0, 50 mM MgCl2 and 100 g/L PEG 550 MME) |