1I9G

CRYSTAL STRUCTURE OF AN ADOMET DEPENDENT METHYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	66.420, 86.790, 138.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.980
R-factor	0.205 *
Rwork	0.205
R-free	0.23600
Structure solution method	MIR
RMSD bond length	0.100
RMSD bond angle	0.020
Data scaling software	SCALEPACK
Phasing software	DM
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	1.980
Rmerge	0.049 *
Total number of observations	70596 *
Number of reflections	27574
Completeness [%]	98.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	25 *	VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-6 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop		300 (mM)
4	1	drop	AdoMet	5 (mM)
5	1	reservoir	sodium citrate	100 (mM)
6	1	reservoir	lithium sulfate	50 (mM)
7	1	reservoir	PEG4000	16-18 (%(w/v))