3H5X

Crystal Structure of 2'-amino-2'-deoxy-cytidine-5'-triphosphate bound to Norovirus GII RNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	74.600, 93.700, 96.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.840 - 1.770
R-factor	0.20745
Rwork	0.205
R-free	0.24578
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3bso
RMSD bond length	0.008
RMSD bond angle	1.074
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.770	1.770
Rmerge	0.047	0.670
Number of reflections	65879
<I/σ(I)>	21
Completeness [%]	98.9	96.5
Redundancy	5.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	160 g/L PEG 8000, 250 g/L Glycerol, 100 mM Tris-Cl, pH 7.0, 50 mM KCl, 4 mM MgCl2, 10 mM MnCl2, 14 mM mercaptoethanol, 1 g/L CHAPS, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 8000
10	1	2	Glycerol
11	1	2	Tris-HCl
12	1	2	KCl
13	1	2	MgCl2
14	1	2	MnCl2
15	1	2	2-mercaptoethanol
16	1	2	CHAPS
2	1	1	Glycerol
3	1	1	Tris-HCl
4	1	1	KCl
5	1	1	MgCl2
6	1	1	MnCl2
7	1	1	2-mercaptoethanol
8	1	1	CHAPS
9	1	2	PEG 8000