6Q68

Crystal structure of bovine ACBD3 GOLD domain in complex with 3A protein of enterovirus-F2 (fusion protein)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43
Unit cell lengths	55.371, 55.371, 200.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.490 - 3.161
R-factor	0.243
Rwork	0.241
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lz1
RMSD bond length	0.003
RMSD bond angle	0.774
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XDS (Jan 26, 2018)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.490	3.274
High resolution limit [Å]	3.161	3.161
Rmerge	0.078	1.035
Rmeas	0.084
Number of reflections	10318	1049
<I/σ(I)>	16.06	1.47
Completeness [%]	99.8	99.24
Redundancy	7.5	7.3
CC(1/2)	0.999	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% w/v PEG 3000, 10% v/v 1,4-butanediol, 1% w/v N,N-dimethyldodecylamine-N-oxide , 10% w/v glucose, 4% v/v 1,2-propandiol, 100mM BES/TEA pH 7.5