6N81

Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	82.602, 150.100, 117.250
Unit cell angles	90.00, 95.06, 90.00

Refinement procedure

Resolution	46.088 - 2.579
R-factor	0.175
Rwork	0.173
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oov 3eyq
RMSD bond length	0.003
RMSD bond angle	0.777
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.579	2.600
Rmerge	0.120	0.453
Rmeas	0.144
Rpim	0.078	0.307
Number of reflections	84760	4171
<I/σ(I)>	12.3
Completeness [%]	96.0	95.5
Redundancy	3.2	2.8
CC(1/2)	0.982	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% PEG 4000, 0.1M Tris, pH 8.5, 50mM proline