9WP3
The crystal structure of PDE2A complexed with inhibitor 13j
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-06 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.782, 73.080, 91.114 |
| Unit cell angles | 109.62, 91.18, 90.85 |
Refinement procedure
| Resolution | 23.732 - 2.502 |
| R-factor | 0.259100558245 |
| Rwork | 0.256 |
| R-free | 0.31091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.505 |
| Data reduction software | CrysalisPro (V1) |
| Data scaling software | Aimless (V1) |
| Phasing software | PHASER (V1) |
| Refinement software | REFMAC (v1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.732 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.088 | 0.339 |
| Number of reflections | 46204 | 4660 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 98.6 | 99.3 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Tris-HCl (pH 8.5), 0.2 M MgCl2, and 18-22% PEG 3,350 |
