4QVJ

Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-acetylneuraminic 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	2013-04-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978196
Spacegroup name	P 21 21 21
Unit cell lengths	57.700, 99.600, 129.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.920 - 2.260
R-factor	0.2164
Rwork	0.213
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.927	49.920	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.171	0.055	0.634
Rmeas		0.063	0.731
Number of reflections	43867	570	2773
<I/σ(I)>	7.32	15.86	2.16
Completeness [%]	98.3	94.7	85.1
Redundancy	4.7

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