4EEX
Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase
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 | 123.464, 126.456, 94.352 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.240 - 2.200 |
R-factor | 0.1806 |
Rwork | 0.178 |
R-free | 0.23550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.812 |
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] | 36.148 | 36.148 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.026 | 0.431 | |
Total number of observations | 3758 | 15952 | |
Number of reflections | 36339 | ||
<I/σ(I)> | 11.9 | 23 | 1.8 |
Completeness [%] | 96.6 | 95.1 | 92.8 |
Redundancy | 3.3 | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 30% PEG 400, 0.2 M calcium acetate, 0.1 M sodium acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |