4FCB
Potent and Selective Phosphodiesterase 10A Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-08 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.153, 81.174, 157.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.170 - 2.100 |
R-factor | 0.24583 |
Rwork | 0.244 |
R-free | 0.28445 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.064 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 34353 | |
Completeness [%] | 78.6 | 77.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 291 | 12-18% PEG 3350, 100 mM MES, 3-6% Methanol, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |