8P0E

Rubella virus p150 macro domain in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97951
Spacegroup name	I 2 2 2
Unit cell lengths	72.830, 87.450, 135.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.920 - 1.590
R-factor	0.1926
Rwork	0.192
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	0.846
Data reduction software	autoPROC (1.0.5)
Data scaling software	STARANISO (1.0.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.500	1.774
High resolution limit [Å]	1.590	1.594
Rmerge	0.061	0.934
Rpim	0.033	0.454
Number of reflections	31161	7965
<I/σ(I)>	12.8	1.5
Completeness [%]	91.7	68.7
Redundancy	4.2	5.1
CC(1/2)	0.999	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	14.4% PEG 6K, 1.26 M LiCl, 0.1 M Bicine pH 9, supplemented with 10% glycerol for freezing