1P1B

Guanidinoacetate methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2002-01-01
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.150, 162.370, 55.700
Unit cell angles	90.00, 96.40, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.215
Rwork	0.214
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	27.700 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000 *	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.067 *	0.139 *
Total number of observations	122476 *
Number of reflections	23416 *
Completeness [%]	99.4 *	88.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	50 (mM)	pH6.5
2	1	reservoir	dithiothreitol	1 (mM)
3	1	reservoir	SAH	2 (mM)
4	1	reservoir	GAA	1 (mM)
5	1	reservoir	PEG8000	8 (%(w/v))
6	1	drop	protein	10 (mg/ml)