5YNM

Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAM and m7GpppA

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	67.713, 70.024, 120.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.761 - 1.680
R-factor	0.1808
Rwork	0.180
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r24
RMSD bond length	0.016
RMSD bond angle	1.364
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]	45.610
High resolution limit [Å]	1.680	1.680
Rmerge	0.058
Rmeas	0.061
Rpim	0.018
Number of reflections	131556	6477
<I/σ(I)>	22	2.4
Completeness [%]	99.3	98.7
Redundancy	11.8	11.4
CC(1/2)	1.000	0.854

Crystallization Conditions

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