7VTX
Crystal structure of PDE8A catalytic domain in complex with 22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-11-09 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5406 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 75.936, 132.005, 101.592 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.218 - 2.500 |
R-factor | 0.247760991845 |
Rwork | 0.246 |
R-free | 0.27667 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ecm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.123 |
Data reduction software | CrysalisPro (38.41) |
Data scaling software | CrysalisPro (38.41) |
Phasing software | MOLREP (6.5.0) |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.220 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.109 | 0.387 |
Number of reflections | 17373 | 1740 |
<I/σ(I)> | 17.23 | |
Completeness [%] | 96.1 | |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100mM Cacodylate Sodium pH 6.5, 15% Isopropanol, 30% Ethylene Glycol, 11% PEG 3350 |