4WZK

Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type H2 (triglycan)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97250
Spacegroup name	C 1 2 1
Unit cell lengths	114.990, 58.810, 98.020
Unit cell angles	90.00, 108.11, 90.00

Refinement procedure

Resolution	29.655 - 1.490
R-factor	0.1406
Rwork	0.139
R-free	0.17350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oox
RMSD bond length	0.010
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.580		1.510
High resolution limit [Å]	1.470	6.580	1.470
Rmerge	0.030	0.019	0.480
Rmeas	0.037	0.023	0.581
Total number of observations	302351
Number of reflections	102793	1178	7400
<I/σ(I)>	17.31	46.55	2.27
Completeness [%]	97.3	94.1	95.1
Redundancy	2.9		2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	291	Sodium acetate