4WZT

Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type A (triglycan)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978174
Spacegroup name	P 41 21 2
Unit cell lengths	104.740, 104.740, 190.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.258 - 1.910
R-factor	0.1549
Rwork	0.154
R-free	0.17910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oos
RMSD bond length	0.008
RMSD bond angle	1.134
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]	48.260		1.900
High resolution limit [Å]	1.850	8.280	1.850
Rmerge	0.087	0.019	0.983
Rmeas	0.094	0.021	1.063
Total number of observations	585432
Number of reflections	89901	1063	6523
<I/σ(I)>	16.68	59.5	1.6
Completeness [%]	98.8	88.1	98.3
Redundancy	6.5		6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, Sodium formate