8R02

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	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91788
Spacegroup name	P 21 21 21
Unit cell lengths	57.500, 140.830, 141.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.919 - 2.500
Rwork	0.202
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.444
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]	19.919	2.550
High resolution limit [Å]	2.500	2.500
Number of reflections	40494	2913
<I/σ(I)>	16.1
Completeness [%]	99.7
Redundancy	13.6
CC(1/2)	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	20% PEG 3350, 150 mM NaK tartrate, 100 mM NaCl, pH 7.4