1DIC
STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 1995-08 |
Detector | SIEMENS X1000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.300, 51.570, 39.840 |
Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.800 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dsu |
RMSD bond length | 0.009 |
RMSD bond angle | 26.600 * |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.090 | |
Total number of observations | 163135 * | |
Number of reflections | 18850 | |
<I/σ(I)> | 37.3 | 1.22 |
Completeness [%] | 92.0 | 57.6 |
Redundancy | 8.65 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.6 | pH 5.6 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | MES | 50 (mM) | |
2 | 1 | reservoir | PEG6000 | 20 (%) | |
3 | 1 | reservoir | 0.2 (M) |