4OPS

Crystal structure of P domain from norovirus strain Farmington Hills 2004 in complex with HBGA type Leb (tetraglycan)

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	2013-06-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.97940
Spacegroup name	P 21 21 21
Unit cell lengths	71.450, 90.110, 91.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.808 - 1.760
R-factor	0.1866
Rwork	0.185
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.362
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.345		1.790
High resolution limit [Å]	1.750	7.820	1.750
Rmerge	0.112	0.049	0.535
Number of reflections	59028
<I/σ(I)>	9.88	22.74	2.41
Completeness [%]	97.3	97.3	95.1
Redundancy	5.5		5.7

Crystallization Conditions

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