4X0C

Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type Lex (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	2013-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978196
Spacegroup name	P 41 21 2
Unit cell lengths	104.830, 104.830, 191.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.142 - 1.720
R-factor	0.1606
Rwork	0.160
R-free	0.17950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oos
RMSD bond length	0.011
RMSD bond angle	1.297
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]	45.950		1.750
High resolution limit [Å]	1.700	7.610	1.700
Rmerge	0.068	0.013	1.286
Rmeas	0.080	0.016	1.513
Total number of observations	421454
Number of reflections	116084	1389	8319
<I/σ(I)>	15.62	65.59	1.2
Completeness [%]	99.2	90.5	97.6
Redundancy	3.6		3.6

Crystallization Conditions

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