6O40

Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VIQKI I454F I456F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	H 3
Unit cell lengths	49.337, 49.337, 75.894
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.370 - 1.200
R-factor	0.1765
Rwork	0.175
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nro
RMSD bond length	0.011
RMSD bond angle	1.363
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.370	1.240
High resolution limit [Å]	1.197	1.197
Rmerge	0.042	0.714
Rmeas	0.044	0.828
Rpim	0.013	0.405
Number of reflections	21440	1943
<I/σ(I)>	21.65	1.55
Completeness [%]	98.4	88.36
Redundancy	9.8	3.8
CC(1/2)	1.000	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	30 mM NaF, 30 mM NaBr, 30 mM NaI, 20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000 in 100 mM imidazole/MES monohydrate buffer (pH 6.5)20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000 in 100 mM imidazole/MES monohydrate buffer (pH 6.5)