6R0G

Getah virus macro domain in complex with ADPr, pose 2

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	46.880, 71.647, 98.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.700 - 1.700
R-factor	0.18258
Rwork	0.181
R-free	0.20753
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6qzu
RMSD bond length	0.005
RMSD bond angle	1.250
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]	42.350	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.055	0.905
Rmeas	0.069	1.127
Rpim	0.040	0.664
Number of reflections	36394	1913
<I/σ(I)>	15.6	1.6
Completeness [%]	97.5	97.4
Redundancy	5	5.3
CC(1/2)	0.999	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	Imidazole-Malate pH 6,0 30% PEG 4K, 3 mM ADPr, 50 mM Glutamic acid