5C8T

Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligand SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	188.797, 196.840, 180.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.539 - 3.200
R-factor	0.2439
Rwork	0.243
R-free	0.26460
Structure solution method	SAD
RMSD bond length	0.027
RMSD bond angle	1.179
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.099	0.049
Rmeas	0.103	0.051	0.968
Rpim	0.028	0.014	0.265
Total number of observations	747221
Number of reflections	56140
<I/σ(I)>	4.9
Completeness [%]	100.0	100	100
Redundancy	13.3	12.7	13.2
CC(1/2)		0.999	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3,350