6VAS

Assembly of VIQKI I454(beta-L-homoisoleucine)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain

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	2019-08-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 3 2 1
Unit cell lengths	50.630, 50.630, 76.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.730 - 1.490
R-factor	0.2464
Rwork	0.245
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nro
RMSD bond length	0.003
RMSD bond angle	0.455
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.730	1.543
High resolution limit [Å]	1.490	1.490
Rmeas	0.108	2.094
Rpim	0.024	0.448
Number of reflections	18936	1814
<I/σ(I)>	15.96	1.63
Completeness [%]	99.7	98.53
Redundancy	21.1	21.7
CC(1/2)	0.999	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulfate, 100 mM imidazole/MES monohydrate (pH 6.5), 12.5% PEG1000, 12.5% PEG3350, 12.5% 2-methyl-2,4-pentanediol