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