5YN8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-03
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.9778
Spacegroup name	P 21 2 21
Unit cell lengths	66.399, 70.233, 119.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.250 - 1.970
R-factor	0.1936
Rwork	0.192
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r24
RMSD bond length	0.011
RMSD bond angle	0.912
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]	48.540
High resolution limit [Å]	1.970	1.970
Rmerge	0.059
Rmeas	0.062
Rpim	0.018
Number of reflections	76064	3711
<I/σ(I)>	25.1	3.1
Completeness [%]	94.5	94
Redundancy	11.3	11
CC(1/2)	1.000	0.844

Crystallization Conditions

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