4P1R
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-06-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5 |
Spacegroup name | F 2 3 |
Unit cell lengths | 252.971, 252.971, 252.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.810 - 2.243 |
R-factor | 0.1545 |
Rwork | 0.153 |
R-free | 0.18880 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.307 |
Refinement software | PHENIX ((phenix.refine: dev_1589)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.810 |
High resolution limit [Å] | 2.240 |
Number of reflections | 63795 |
<I/σ(I)> | 12.39 |
Completeness [%] | 99.9 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 1.6M Ammonium Sulfate, 0.1M MES monohydrate, 10% v/v 1,4-Dioxane |