1NBH

Structure of glycine N-methyltransferase complexed with S-adenosylmethionine and acetate, GNMT:SAM:Ace

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-01-10
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	90.050, 117.010, 137.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
R-factor	0.204
Rwork	0.203
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	23.800 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	3.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.072	0.258 *
Total number of observations	195411 *
Number of reflections	36870 *
<I/σ(I)>	5
Completeness [%]	99.0 *	97 *
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	23 *	PEG 3400, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	SAM	5 (mM)
2	1	reservoir	sodium citrate	100 (mM)	pH5.6
3	1	reservoir	ammonium acetate	100 (mM)
4	1	reservoir		50 (mM)
5	1	reservoir	PEG3400	10 (%(w/v))
6	1	drop	protein	20 (mg/ml)