4EEZ
Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase variant RE1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.954 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 124.396, 126.546, 94.225 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.788 - 1.900 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 1.984 |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.788 | 37.788 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.025 | 0.315 | |
Total number of observations | 6195 | 26709 | |
Number of reflections | 57211 | ||
<I/σ(I)> | 13.8 | 25 | 2.5 |
Completeness [%] | 97.7 | 93.7 | 97.2 |
Redundancy | 3.4 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 30% PEG 400, 0.2 M calcium acetate, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |