5YN6

Crystal structure of MERS-CoV nsp10/nsp16 complex bound to SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9778
Spacegroup name	P 21 2 21
Unit cell lengths	66.962, 70.171, 119.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.645 - 1.947
R-factor	0.1961
Rwork	0.195
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r24
RMSD bond length	0.018
RMSD bond angle	1.292
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.570
High resolution limit [Å]	1.950	1.950
Rmerge	0.065
Rmeas	0.068
Rpim	0.020
Number of reflections	83890	4132
<I/σ(I)>	20.9	2.9
Completeness [%]	99.5	99.4
Redundancy	11.9	11
CC(1/2)	0.999	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	10% PEG 5000 ME, 5%Tascimate, pH7.0