1KKE

Crystal Structure of Reovirus Attachment Protein Sigma1 Trimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2001-02-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.541789
Spacegroup name	P 21 21 21
Unit cell lengths	52.700, 89.000, 119.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
Rwork	0.172
R-free	0.23500 *
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.087	0.284
Total number of observations	56260 *
Number of reflections	16338
<I/σ(I)>	9	2.2
Completeness [%]	91.0	64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	20 *	PEG4000, Isopropanol, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	isopropanol	10 (%)
3	1	reservoir	PEG4000	20 (%)
4	1	reservoir	HEPES	100 (mM)	pH7.5