3Q39

Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type H2 (diglycan)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	95
Detector technology	CCD
Collection date	2010-08-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	65.117, 78.768, 69.490
Unit cell angles	90.00, 99.93, 90.00

Refinement procedure

Resolution	28.240 - 1.250
R-factor	0.1689
Rwork	0.168
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.018
RMSD bond angle	1.758
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER ((2.1.4))
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.240	1.280
High resolution limit [Å]	1.250	1.250
Number of reflections	190028
<I/σ(I)>	16.12	2.33
Completeness [%]	99.7	99.7
Redundancy	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Imidazol pH 6.5, 8.25% (w/v) PEG 8000, 1% (v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K