6R0F

Getah virus macro domain in complex with ADPr, pose 1

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	46.729, 71.566, 98.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.660 - 2.050
R-factor	0.19514
Rwork	0.193
R-free	0.23548
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6qzu
RMSD bond length	0.007
RMSD bond angle	1.436
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]	42.230	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.270	1.206
Rmeas	0.160	1.517
Rpim	0.097	0.908
Number of reflections	21125	1628
<I/σ(I)>	8.5	1.5
Completeness [%]	98.6	99
Redundancy	4.8	5.1
CC(1/2)	0.994	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.9	293	imidazole-Malate pH 5,9 34% PEG 4K, 3mM ADPr, 3 hours soaking with crystallization solutution additioned 15mM Aspartic acid,