6KO0
The crystal structue of PDE10A complexed with 1i
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-24 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.213, 81.535, 161.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.777 - 2.600 |
| R-factor | 0.220104788871 |
| Rwork | 0.215 |
| R-free | 0.32730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oup |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.118 |
| Data reduction software | CrysalisPro (38.42) |
| Data scaling software | CrysalisPro (38.42) |
| Phasing software | PHASER (1.10) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.780 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.076 | 0.218 |
| Number of reflections | 20094 | 2015 |
| <I/σ(I)> | 18.3 | 5.1 |
| Completeness [%] | 97.0 | 100 |
| Redundancy | 3.8 | 4 |
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 |
