6PRL

Assembly of VIQKI P5(beta-L-homoproline) 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)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	35.521, 53.160, 58.231
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	39.260 - 1.870
R-factor	0.2074
Rwork	0.203
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nro
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.260	1.937
High resolution limit [Å]	1.870	1.870
Rmeas	0.298	3.064
Rpim	0.113	1.281
Number of reflections	17950	1687
<I/σ(I)>	8.57	1.99
Completeness [%]	98.8	93.35
Redundancy	6.9	4.9
CC(1/2)	0.971	0.568

Crystallization Conditions

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