6CYD
PDE2 in complex with compound 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-21 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.940, 91.820, 102.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.910 - 1.690 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21000 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.910 | 1.780 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.083 | |
Number of reflections | 77189 | |
<I/σ(I)> | 13.1 | |
Completeness [%] | 100.0 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG8000, 0.1M Hepes pH7.5, 1mM TCEP |