2QJI
M. jannaschii ADH synthase complexed with dihydroxyacetone phosphate and glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 94.144, 103.543, 153.990 |
Unit cell angles | 90.05, 87.97, 82.04 |
Refinement procedure
Resolution | 41.190 - 2.800 |
R-factor | 0.244 |
Rwork | 0.244 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.190 | 2.980 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 125135 | |
Completeness [%] | 88.3 | 77.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 6% 1,4-butanediol, 0.1M sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |