7CWG
Crystal structure of PDE8A catalytic domain in complex with 3a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-08-12 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5406 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 75.797, 131.832, 101.335 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.350 - 2.800 |
R-factor | 0.27693 |
Rwork | 0.275 |
R-free | 0.31747 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ecm |
RMSD bond length | 0.007 |
RMSD bond angle | 0.987 |
Data reduction software | CrysalisPro (38.41) |
Data scaling software | CrysalisPro (38.41) |
Phasing software | PHASER (6.5.0) |
Refinement software | REFMAC (6.5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.350 | 3.040 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.157 | 0.224 |
Number of reflections | 20210 | 2021 |
<I/σ(I)> | 18.7 | 10.85 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.3 | 10.8 |
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% PEG3350 |