8XO7

Crystal structure of measles virus fusion inhibitor MEK35GE complexed with F protein HR1 (HR1-42) (P2 space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000000
Spacegroup name	P 1 2 1
Unit cell lengths	52.397, 35.573, 123.262
Unit cell angles	90.00, 91.26, 90.00

Refinement procedure

Resolution	48.605 - 2.165
Rwork	0.203
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.582
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.165	2.165
Rmeas	0.063	0.514
Number of reflections	24545	3821
<I/σ(I)>	20.74	3.77
Completeness [%]	99.0	96.6
Redundancy	6.65	6.34
CC(1/2)	0.999	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	200 mM MgCl2, 25% (w/v) PEG 3350, 100 mM Tris (pH 8.5)