6BLF
PDE2 complexed with 2-[6-fluoro-8-methylsulfonyl-9-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.030, 95.830, 104.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.720 - 2.110 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.22800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.720 |
High resolution limit [Å] | 2.110 |
Number of reflections | 42112 |
<I/σ(I)> | 17.4 |
Completeness [%] | 99.8 |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 15% PEG 8000, 2% Ethylene Glycol, 10 mM TCEP |