1NBI

Structure of R175K mutated glycine N-methyltransferase complexed with S-adenosylmethionine, R175K:SAM.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-15
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	77.870, 77.870, 227.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 3.000
R-factor	0.166
Rwork	0.165
R-free	0.29000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	27.600 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.077	0.266 *
Total number of observations	145578 *
Number of reflections	25540 *
<I/σ(I)>	5
Completeness [%]	98.0 *	96 *
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)