5C8U

Crystal structure of the SARS coronavirus nsp14-nsp10 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-18
Detector	RAYONIX MX-300
Wavelength(s)	0.984
Spacegroup name	C 2 2 21
Unit cell lengths	189.928, 194.979, 179.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 3.401
R-factor	0.2203
Rwork	0.218
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.343
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	3.460
High resolution limit [Å]	3.400	9.210	3.400
Rmerge	0.086	0.027
Rmeas	0.092	0.030	0.986
Rpim	0.033	0.011	0.359
Total number of observations	346535
Number of reflections	46052
<I/σ(I)>	9.6
Completeness [%]	100.0	99.3	100
Redundancy	7.5	6.8	7.4
CC(1/2)		0.999	0.831

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, 2% (w/v) polyethylene glycol 3350