1B93

METHYLGLYOXAL SYNTHASE FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 65 2 2
Unit cell lengths	123.340, 123.340, 155.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.181
Rwork	0.181
R-free	0.20200
Structure solution method	MIRAS
RMSD bond length	0.006
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.077
Total number of observations	247774 *
Number of reflections	58374
Completeness [%]	89.5	36.8
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-acetate	50 (mM)
3	1	drop		1 (mM)
4	1	reservoir	sodium formate	1.2 (M)
5	1	reservoir	sodium cacodylate	100 (mM)