6KZE
The crystal structue of PDE10A complexed with 4d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-20 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.495, 81.147, 162.132 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.272 - 2.500 |
R-factor | 0.246508154206 |
Rwork | 0.242 |
R-free | 0.32787 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oup |
RMSD bond length | 0.012 |
RMSD bond angle | 1.252 |
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] | 22.273 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.082 | 0.471 |
Number of reflections | 23117 | 2244 |
<I/σ(I)> | 17.3 | 1.8 |
Completeness [%] | 99.1 | 98.99 |
Redundancy | 3.5 | 2.7 |
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 |