1SH0

Crystal Structure of Norwalk Virus Polymerase (Triclinic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2003-10-15
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	55.144, 59.914, 100.095
Unit cell angles	104.36, 92.49, 111.91

Refinement procedure

Resolution	40.000 * - 2.170
R-factor	0.19716
Rwork	0.194
R-free	0.25500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khv
RMSD bond length	0.008
RMSD bond angle	1.020 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BEAST
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.042	0.147
Total number of observations	233635 *
Number of reflections	57284	5246 *
<I/σ(I)>	24.4	3.5
Completeness [%]	95.1	86.9
Redundancy	4.1	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	PEG 8000, ammonium sulfate, Tris-Cl, glycerol, 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	polymerase	7 (mg/ml)
2	1	reservoir	PEG8000	24 (%(w/v))
3	1	reservoir	ammonium sulfate	100-200 (mM)
4	1	reservoir	Tris-Cl	50 (mM)	pH7.5
5	1	reservoir	glycerol	15 (%(w/v))
6	1	reservoir	CHAPS	0.2 (%(w/v))
7	1	reservoir	2-mercaptoethanol	14 (mM)