7ZA2

GPC3-Unc5D octamer structure and role in cell migration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	102.113, 157.994, 126.572
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	66.616 - 4.600
Rwork	0.307
R-free	0.34700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftt GPC3
RMSD bond length	0.008
RMSD bond angle	1.384
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.620	4.760
High resolution limit [Å]	4.600	4.600
Rmerge	0.093
Rpim	0.040
Number of reflections	21870	2165
<I/σ(I)>	7.77	1.81
Completeness [%]	99.7
Redundancy	6.6
CC(1/2)	0.997	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	291.15	15% w/v PEG 3000, 20% v/v 1, 2, 4-butanetrol, 1% w/v NDSB 256, 0.1 M Gly-GLy/AMPD (pH 8.5) and 0.2 M of amino acids (DL-arginine HCL, DL-threonine, DL-histidine HCL H2O, DL-5-hydroxylysine HCL, trans-4-hydroxyl-L-proline).