8UFL

Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	67.700, 84.862, 93.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.800 - 2.510
R-factor	0.2162
Rwork	0.213
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.369
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.112	0.800
Rmeas	0.123	0.883
Rpim	0.052	0.370
Number of reflections	19083	908
<I/σ(I)>	15.1	2.2
Completeness [%]	100.0	100
Redundancy	5.6	5.6
CC(1/2)	0.966	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	Protein: 6.4 mg/ml, 0.3M Sodium chloride, 0.01M Tris pH 8.3; Screen: Classics II (F6), 0.2M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% (w/v) PEG 3350