6XS7

Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953664
Spacegroup name	P 21 21 2
Unit cell lengths	38.060, 144.010, 43.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.930 - 1.580
R-factor	0.178719631532
Rwork	0.178
R-free	0.19084
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w24
RMSD bond length	0.011
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.062	0.712
Rmeas	0.065	0.744
Rpim	0.018	0.213
Number of reflections	33356	1514
<I/σ(I)>	18.9
Completeness [%]	99.6	92.7
Redundancy	13	11.5
CC(1/2)	1.000	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Potassium thiocyanate, 30% PEG2000 MME