6KE0
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2012-12-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.398, 81.553, 160.763 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.910 - 2.950 |
| R-factor | 0.2533 |
| Rwork | 0.251 |
| R-free | 0.30220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oun |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.589 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
| Rmerge | 0.135 | 0.068 | 0.545 |
| Total number of observations | 67762 | ||
| Number of reflections | 13655 | 812 | 647 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 92.1 | 95.6 | 88.9 |
| Redundancy | 5 | 4.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 50mM Bis-tris propane pH 6.0, 50mM Magnesium sulfate, 15% PEG 3350 |
