9JA8
Crystal structure of human phosphodiesterase 10A in complex with N-(2-amino-2-thioxoethyl)-2-(3-(3-(dimethylcarbamoyl)-6-fluoroimidazo[1,2-a]pyridin-2-yl)azetidin-1-yl)quinoline-4-carboxamide
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 | 2024-01-06 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.100, 81.430, 160.376 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.200 - 2.400 |
| Rwork | 0.229 |
| R-free | 0.26610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bpi |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.557 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.200 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.078 | 0.322 |
| Number of reflections | 26231 | 2712 |
| <I/σ(I)> | 10.2 | 2.9 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 4 | 4.1 |
| CC(1/2) | 0.996 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Hepes (pH 7.5), 0.2 M MgCl2, 18% PEG 3350, 50 mM 2-mercaptoethanol |
