5DO2

Complex structure of MERS-RBD bound with 4C2 antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-30
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	74.083, 110.401, 172.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.531 - 2.409
R-factor	0.2468
Rwork	0.245
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kr0
RMSD bond length	0.004
RMSD bond angle	0.922
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.098	0.734
Number of reflections	55049
<I/σ(I)>	19.915	2.092
Completeness [%]	99.3	93.5
Redundancy	7.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium thiocyanate, 20% (w/v) PEG 3350