4ZPW

Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-10
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.667, 109.887, 125.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.731 - 3.023
R-factor	0.2195
Rwork	0.217
R-free	0.25890
RMSD bond length	0.003
RMSD bond angle	0.807
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]	50.000	3.310
High resolution limit [Å]	3.023	3.170
Rmerge		0.465
Number of reflections	11975
<I/σ(I)>	5.7	2
Completeness [%]	91.7	81.3
Redundancy	4.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris-HCl pH 8.5, 10 % MPD, 29 % PEG 1,500