8XO5

Crystal structure of measles virus fusion inhibitor MEK28 complexed with F protein HR1 (HR1-40) (H3 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	H 3
Unit cell lengths	51.800, 51.800, 58.662
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.635 - 1.205
Rwork	0.195
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.734
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	1.280
High resolution limit [Å]	1.205	1.205
Rmeas	0.092	0.541
Number of reflections	18126	2915
<I/σ(I)>	10.98	2.72
Completeness [%]	99.8	99.1
Redundancy	5.04	4.87
CC(1/2)	0.993	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	200 mM Ammonium Acetate, 40% (v/v) MPD, 100 mM MES buffer (pH 6.0)