1B78

STRUCTURE-BASED IDENTIFICATION OF THE BIOCHEMICAL FUNCTION OF A HYPOTHETICAL PROTEIN FROM METHANOCOCCUS JANNASCHII:MJ0226

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	44.360, 72.890, 141.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.189
Rwork	0.189
R-free	0.26700
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	27.400 *
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.043
Number of reflections	23663
Completeness [%]	95.0
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *		pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)
3	1	drop		20 (mM)
4	1	reservoir	ADA	0.1 (M)
5	1	reservoir	PEG6000	10 (%)
6	1	reservoir	isopropanol	20 (%)