6WAR

Crystal structure of the MERS-CoV RBD bound by the neutralizing single-domain antibody MERS VHH-55

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2017-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	150.047, 283.378, 173.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.900 - 3.400
R-factor	0.217
Rwork	0.214
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l72 5f1o
RMSD bond length	0.007
RMSD bond angle	1.046
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3758)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.300	3.510
High resolution limit [Å]	3.400	3.400
Number of reflections	50369	4438
<I/σ(I)>	6.2	2.1
Completeness [%]	98.5
Redundancy	5.8
CC(1/2)	0.485	0.161

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	1.0 M Na/K phosphate pH 7.5