5YNB

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

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	66.325, 70.206, 119.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.213 - 1.980
R-factor	0.1893
Rwork	0.187
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r24
RMSD bond length	0.011
RMSD bond angle	0.901
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]	48.230
High resolution limit [Å]	1.980	1.980
Rmerge	0.082
Rmeas	0.086
Rpim	0.026
Number of reflections	79026	3837
<I/σ(I)>	19.4	3
Completeness [%]	99.8	98.8
Redundancy	10.7	10.7
CC(1/2)	0.999	0.856

Crystallization Conditions

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