4ZPV

Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-22
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	76.181, 106.145, 171.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.547 - 3.200
R-factor	0.2259
Rwork	0.223
R-free	0.28120
RMSD bond length	0.004
RMSD bond angle	0.896
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.547	3.360
High resolution limit [Å]	3.200	3.250
Rmerge		0.759
Number of reflections	19408
<I/σ(I)>	32.4	2
Completeness [%]	85.4	76.3
Redundancy	5.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M sodium cacodylate pH 6.5, 80 mM magnesium acetate, 14.5 % PEG 8,000