6YXJ

Crystal structure of SARS-CoV macrodomain II in complex with human Paip1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-23
Detector	MAR CCD 165 mm
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	92.386, 92.386, 166.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.940 - 3.500
R-factor	0.3142
Rwork	0.313
R-free	0.33550
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	BUSTER (2.10.3 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.020	3.690
High resolution limit [Å]	3.500	3.500
Rmerge	0.095	1.250
Number of reflections	10784	1549
<I/σ(I)>	10.8	1.8
Completeness [%]	99.3	99.7
Redundancy	5.9
CC(1/2)		0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M (NH4)2SO4, 0.1 M HEPES pH 7.3, 18% PEG 3,350, 15% glycerol
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M (NH4)2SO4, 0.1 M HEPES pH 7.3, 18% PEG 3,350, 15% glycerol