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 |