1B42

VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M1ADE AND S-ADENOSYLHOMOCYSTEINE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	103
Detector technology	CCD
Collection date	1998-09-10
Detector	SIEMENS
Spacegroup name	C 1 2 1
Unit cell lengths	84.907, 66.997, 79.741
Unit cell angles	90.00, 117.30, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.206
Rwork	0.206
R-free	0.25600
Structure solution method	OTHER
RMSD bond length	0.011
RMSD bond angle	1.647
Data reduction software	SMART
Data scaling software	SAINT
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.055 *
Number of reflections	15892
Completeness [%]	77.7	44
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	4.5 *		used macroseeding, Hodel, A.E., (1996) Cell, 85, 247. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000	10 (%)
2	1	1		0.125 (M)
3	1	1	citrate	0.1 (M)