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 |