5C8S

Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA

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	42.558 - 3.326
R-factor	0.2192
Rwork	0.217
R-free	0.25940
RMSD bond length	0.025
RMSD bond angle	1.445
Data reduction software	HKL-3000
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.076	0.035	0.877
Rmeas	0.082	0.038	0.955
Rpim	0.032	0.015	0.376
Total number of observations	339184
Number of reflections	50763
<I/σ(I)>	4.3
Completeness [%]	100.0	99.9	100
Redundancy	6.7	6.2	6.4
CC(1/2)		0.998	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3350