5KV8

Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	81.570, 98.612, 103.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.784 - 1.949
R-factor	0.163
Rwork	0.161
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xjq
RMSD bond length	0.009
RMSD bond angle	1.223
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.784	45.784	2.000
High resolution limit [Å]	1.949	8.930	1.950
Rmerge	0.099	0.025	0.793
Number of reflections	61585
<I/σ(I)>	16.5
Completeness [%]	99.9	99.3	99.1
Redundancy	7.3	6.3	5.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	0.1 M citrate buffer, 0.2 M ammonium sulphate, 20% PEG 3000