5YNQ

Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH and m7GpppG

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	66.874, 70.101, 118.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.349 - 1.958
R-factor	0.1878
Rwork	0.186
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r24
RMSD bond length	0.004
RMSD bond angle	1.210
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]	48.400
High resolution limit [Å]	1.960	1.960
Rmerge	0.057
Rmeas	0.060
Rpim	0.019
Number of reflections	81914	3576
<I/σ(I)>	22.3	2.5
Completeness [%]	99.8	99.2
Redundancy	9.8	9.6
CC(1/2)	1.000	0.843

Crystallization Conditions

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