4X05

Crystal structure of P domain from norovirus strain Farmington Hills 2004 in complex with HBGA type B (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	2013-09-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98405
Spacegroup name	C 1 2 1
Unit cell lengths	175.110, 89.540, 106.730
Unit cell angles	90.00, 127.55, 90.00

Refinement procedure

Resolution	19.890 - 1.980
R-factor	0.165
Rwork	0.163
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.095
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]	19.890		2.010
High resolution limit [Å]	1.960	8.770	1.960
Rmerge	0.158	0.047	1.139
Rmeas	0.175	0.052	1.285
Total number of observations	511006
Number of reflections	93147	970	6858
<I/σ(I)>	8.89	30.38	1.29
Completeness [%]	99.1	86.4	99.3
Redundancy	5.5		4.7

Crystallization Conditions

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