4QVA

Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-glycolylneuraminic acid

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	2013-04-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978131
Spacegroup name	P 1 21 1
Unit cell lengths	57.530, 99.380, 69.340
Unit cell angles	90.00, 111.04, 90.00

Refinement procedure

Resolution	35.527 - 2.180
R-factor	0.1976
Rwork	0.196
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.992
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]	45.600	45.600	2.160
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.132	0.035	0.520
Rmeas		0.043	0.644
Number of reflections	39483	395	2842
<I/σ(I)>	6.97	22.69	2.17
Completeness [%]	92.7	77.8	90.5
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	PEG 4000, Glycerol, 2-propanol, Sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K