8BPY
X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 222.423, 222.423, 120.257 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.740 - 3.300 |
R-factor | 0.24974 |
Rwork | 0.246 |
R-free | 0.31232 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse structure |
RMSD bond length | 0.013 |
RMSD bond angle | 1.563 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.490 |
High resolution limit [Å] | 3.300 | 3.300 |
Number of reflections | 22982 | 3601 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.6 | |
Redundancy | 8.8 | |
CC(1/2) | 0.998 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 35% PP 5/4, 0.2 M KCl, 50 mM Hepes pH 7.25 |