5UWF
Crystal structure of human PDE10A in complex with inhibitor 16d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.718, 81.239, 158.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.396 - 1.870 |
R-factor | 0.1908 |
Rwork | 0.189 |
R-free | 0.24760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c2h |
RMSD bond length | 0.006 |
RMSD bond angle | 0.839 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.400 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.100 | 0.782 |
Rpim | 0.039 | 0.309 |
Number of reflections | 54103 | 3463 |
<I/σ(I)> | 11.9 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.4 |
CC(1/2) | 0.998 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 15%PEG3350,0.2M calcium acetate,20mM BME |