6Q67

Crystal structure of porcine ACBD3 GOLD domain in complex with 3A protein of Aichivirus C

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	2018-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	55.390, 55.390, 169.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.969 - 2.249
R-factor	0.2361
Rwork	0.234
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lz1
RMSD bond length	0.008
RMSD bond angle	1.144
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]	47.970	2.328
High resolution limit [Å]	2.249	2.249
Rmerge	0.036	1.232
Rmeas	0.040
Number of reflections	14951	1448
<I/σ(I)>	21.49	1.01
Completeness [%]	99.1	97.57
Redundancy	5.8	6.1
CC(1/2)	1.000	0.799

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, 20mM L-arginine, 20mM L-threonine, 20mM L-histidine, 20mM betaine, 10mM trans-4-hydroxy-L-proline, 100mM BES/TEA pH 7.5