4L72

Crystal structure of MERS-CoV complexed with human DPP4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-04-05
Detector	RIGAKU
Wavelength(s)	0.97
Spacegroup name	P 61 2 2
Unit cell lengths	110.609, 110.609, 527.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.900 - 3.005
R-factor	0.2075
Rwork	0.205
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g63 2ajf
RMSD bond length	0.010
RMSD bond angle	1.413
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	48.900
High resolution limit [Å]	3.000	3.000
Number of reflections	39446
Completeness [%]	99.6	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	291	20% PEG1500, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K