1FN9

CRYSTAL STRUCTURE OF THE REOVIRUS OUTER CAPSID PROTEIN SIGMA 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	198
Detector technology	IMAGE PLATE
Collection date	1998-01-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	77.898, 82.564, 132.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 1.800
R-factor	0.169 *
Rwork	0.169
R-free	0.19500
RMSD bond length	0.012
RMSD bond angle	1.540
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.107
Number of reflections	79737
<I/σ(I)>	14.2
Completeness [%]	99.1	96
Redundancy	5.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	4 *	PEG 6000, sodium chloride, magnesium chloride, tris-HCl, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 302K
1	VAPOR DIFFUSION, HANGING DROP	8.3	4 *	PEG 6000, sodium chloride, magnesium chloride, tris-HCl, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 302K
1	VAPOR DIFFUSION, HANGING DROP	8.3	4 *	PEG 6000, sodium chloride, magnesium chloride, tris-HCl, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 302K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
10	1	reservoir	PEG6000	1-3 (%)
2	1	drop	Tris	10 (mM)	pH8.0
3	1	drop		10 (mM)
4	1	drop		800 (mM)
5	1	drop	Tris-HCl	50 (mM)	pH8.3
6	1	drop	PEG6000	1-3 (%)
7	1	reservoir	Tris	10 (mM)
8	1	reservoir		10 (mM)
9	1	reservoir	Tris-HCl	50 (mM)