7F0I
phosphodiesterase-9A in complex with inhibitor 4b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-12 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 103.467, 103.467, 268.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.532 - 2.700 |
| R-factor | 0.27379037353 |
| Rwork | 0.271 |
| R-free | 0.33370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a3n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.211 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | REFMAC (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.532 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.450 |
| Number of reflections | 40355 | 4030 |
| <I/σ(I)> | 21.4 | 5 |
| Completeness [%] | 98.4 | 100 |
| Redundancy | 8.9 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 3.0M Na formate, 0.1M HEPES (pH 7.5), 5% xylitol |
