9JDU
The crystal structure of PDE10A complexed with inhibitor 2061
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-16 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.509, 81.583, 159.744 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.835 - 2.300 |
| R-factor | 0.247821231811 |
| Rwork | 0.245 |
| R-free | 0.29721 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oup |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.533 |
| Data reduction software | CrysalisPro (171.39.46) |
| Phasing software | PHASER (8.0.007) |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.840 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.140 | 0.470 |
| Number of reflections | 29502 | 2952 |
| <I/σ(I)> | 17.3 | 2.8 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 9.7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Hepes (pH 7.5), 0.2M MgCl2, 18-20% PEG 3350, 50mM 2-mercaptoethanol |
