7C02

Crystal structure of dimeric MERS-CoV receptor binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	46.463, 108.788, 125.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.340 - 2.910
R-factor	0.2315
Rwork	0.230
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kqz
RMSD bond length	0.004
RMSD bond angle	0.809
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	14565	1406
<I/σ(I)>	9.6
Completeness [%]	99.9
Redundancy	5.9
CC(1/2)	0.997	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.12M Ehylene Glycols, 0.1M Imidazole MES, 30% v/v Glycerol, PEG 4000