3HR1
Discovery of novel inhibitors of PDE10A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Rigaku FRE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.54 |
Spacegroup name | H 3 |
Unit cell lengths | 120.660, 120.660, 83.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.250 - 1.530 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2o8h |
RMSD bond length | 0.012 |
RMSD bond angle | 1.179 |
Data scaling software | d*TREK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.250 | 1.590 |
High resolution limit [Å] | 1.530 | 1.530 |
Number of reflections | 57998 | |
Completeness [%] | 85.4 | 17.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | ||||
1 |