7BPI
The crystal structue of PDE10A complexed with 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-03-20 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5405 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.941, 81.683, 162.493 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.257 - 2.400 |
| R-factor | 0.255562701596 |
| Rwork | 0.252 |
| R-free | 0.32560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oup |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.111 |
| Data reduction software | CrysalisPro (38.41) |
| Data scaling software | CrysalisPro (38.41) |
| Phasing software | PHASER (1.10) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.260 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.110 | 0.377 |
| Rmeas | 0.130 | 0.448 |
| Rpim | 0.068 | 0.238 |
| Number of reflections | 26047 | 2585 |
| <I/σ(I)> | 12.3 | 2.5 |
| Completeness [%] | 97.5 | 98.85 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M Hepes (pH 7.5), 0.2 M MgCl2, 18% PEG 3350, 50 mM 2-mercaptoethanol |
