6PXH

Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	85.989, 63.860, 186.778
Unit cell angles	90.00, 90.75, 90.00

Refinement procedure

Resolution	52.710 - 2.300
R-factor	0.1811
Rwork	0.179
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	Aimless (0.6.1)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.713	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.113	0.827
Rmeas	0.132	0.971
Rpim	0.067	0.501
Total number of observations		15738
Number of reflections	88863	4484
<I/σ(I)>	7	1.9
Completeness [%]	98.2	98
Redundancy	3.6	3.5
CC(1/2)	0.993	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M imidazole pH 6.5, 0.2 M Li2SO4, 19% polyethylene glycol (PEG) 3350, 6% 2-methyl-2,4-pentanediol (MPD)