1IY8
Crystal Structure of Levodione Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL24XU |
Synchrotron site | SPring-8 |
Beamline | BL24XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-01-24 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.836 |
Spacegroup name | P 1 |
Unit cell lengths | 66.672, 79.184, 112.670 |
Unit cell angles | 103.87, 91.40, 105.48 |
Refinement procedure
Resolution | 40.000 - 1.600 |
Rwork | 0.199 |
R-free | 0.21800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hsd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.534 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.081 * | 0.263 * |
Total number of observations | 1031771 * | |
Number of reflections | 261092 | |
Completeness [%] | 92.1 * | 82.7 * |
Redundancy | 4.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 15 * | PEG MME 2000, magnesium chloride, MPD, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 15 * | PEG MME 2000, magnesium chloride, MPD, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
2 | 1 | reservoir | PEG2000 MME | 18-20 (%(w/v)) | |
3 | 1 | reservoir | 0.2 (M) | ||
4 | 1 | reservoir | MPD | 5 (%(v/v)) | |
5 | 1 | reservoir | glycerol | 5 (%(v/v)) | |
6 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |