7JR6
H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-18 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.872, 67.997, 69.096 |
Unit cell angles | 90.00, 96.83, 90.00 |
Refinement procedure
Resolution | 37.570 - 1.880 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.22270 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 0.680 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHENIX |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.570 | 1.947 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.064 | 1.048 |
Number of reflections | 34104 | 1625 |
<I/σ(I)> | 11.35 | 1.25 |
Completeness [%] | 82.5 | 44.44 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.932 | 0.592 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein diluted to 10mG/mL in 15mM GSH, 50mM TRIS pH 7.5, 50mM NaCl, 25mM MgCl2, 5mM DTT, 1mM EDTA Well Buffer 22% PEG 6K, 1% 1,4 DIOXANE, 10mM DTT, 5% Glycerol, 50mM TRIS pH 8.5 |