6R0P

Getah virus macro domain in complex with ADPr in double open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-31
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 21 21 21
Unit cell lengths	46.700, 71.451, 99.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.410 - 1.600
R-factor	0.17073
Rwork	0.169
R-free	0.19351
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6qzu
RMSD bond length	0.006
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.830	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.053	1.119
Rmeas	0.069	1.451
Rpim	0.043	0.915
Number of reflections	44233	2174
<I/σ(I)>	13.1	1.2
Completeness [%]	98.9	99.5
Redundancy	4	4.1
CC(1/2)	0.998	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	Imidazole-Malate pH 6.0, 32% PEG 4K, 3mM ADPr, 30mM Aspartic acid