8XO4

Crystal structure of measles virus fusion inhibitor M1EK complexed with F protein HR1 (HR1-42) (P21 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	2019-07-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	55.843, 35.580, 237.649
Unit cell angles	90.00, 93.98, 90.00

Refinement procedure

Resolution	49.105 - 2.362
Rwork	0.215
R-free	0.30060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.535
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	2.500
High resolution limit [Å]	2.362	2.362
Rmeas	0.057	0.528
Number of reflections	39067	6076
<I/σ(I)>	18.68	2.82
Completeness [%]	99.5	97.9
Redundancy	6.59	6.46
CC(1/2)	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	200 mM MgCl2, 24% (w/v) PEG 3350, 100 mM BIS-TRIS (pH 5.5)