6PYQ

Assembly of VIQKI D455(beta-L-homoaspartic acid)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	2019-06-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	39.850, 49.340, 56.180
Unit cell angles	90.00, 103.61, 90.00

Refinement procedure

Resolution	24.730 - 1.790
R-factor	0.2091
Rwork	0.207
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nro
RMSD bond length	0.015
RMSD bond angle	1.405
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]	24.730	1.820
High resolution limit [Å]	1.790	1.790
Rmeas	0.089	2.151
Rpim	0.031	0.732
Number of reflections	20102	1037
<I/σ(I)>	13.7	1
Completeness [%]	99.8	99.71
Redundancy	8.5	8.6
CC(1/2)	0.999	0.395

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