8R0J

Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	48.150, 130.340, 146.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.746 - 2.400
Rwork	0.185
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.409
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.746	2.450
High resolution limit [Å]	2.400	2.400
Rmeas	0.398
Number of reflections	37129	2689
<I/σ(I)>	6.5	1.1
Completeness [%]	99.9
Redundancy	12.8
CC(1/2)	0.992	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	18% PEG 3350, 150 mM NaK tartrate, pH 7.4;