3STD
SCYTALONE DEHYDRATASE AND CYANOCINNOLINE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.230, 90.260, 162.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.650 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1std |
RMSD bond length | 0.009 |
RMSD bond angle | 24.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.400 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.058 | 0.282 |
Total number of observations | 512109 * | |
Number of reflections | 66465 | |
<I/σ(I)> | 29.2 | 2.2 |
Completeness [%] | 93.7 | 86.4 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 | 34% PEG400, 200 MM CACL2, 100 TRIS-HCL PH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
2 | 1 | reservoir | 200-250 (mM) | ||
3 | 1 | reservoir | PEG400 | 32-34 (%) |