6R0T

Getah virus macro domain in complex with ADPr in 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	46.673, 71.441, 98.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.980 - 1.850
R-factor	0.17017
Rwork	0.168
R-free	0.19901
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6qzu
RMSD bond length	0.007
RMSD bond angle	1.454
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]	40.680	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.071	1.107
Rmeas	0.087	1.369
Rpim	0.051	0.792
Number of reflections	28867	1757
<I/σ(I)>	13.1	1.4
Completeness [%]	99.6	99.8
Redundancy	4.8	5.1
CC(1/2)	0.998	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.9	293	Imidazole-Malate pH 5.9, 34% PEG 4K, 3 mM ADPr, 30mM Aspartic acid