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 |