1EGH

STRUCTURE OF METHYLGLYOXAL SYNTHASE COMPLEXED WITH THE COMPETITIVE INHIBITOR 2-PHOSPHOGLYCOLATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1998-09-04
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	53.120, 129.870, 178.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.187
Rwork	0.187
R-free	0.21900
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.287
Total number of observations	166553 *
Number of reflections	74966
<I/σ(I)>	17.3
Completeness [%]	88.8	63.7
Redundancy	2.2	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	298	PEG 1500, sodium cacodylate, imidazole-HCL, potassium phosphate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG1500	18 (%)
2	1	reservoir	sodium cacodylate	100 (mM)
3	1	drop	protein	25 (mg/ml)
4	1	drop	imidazole-HCl	20 (mM)
5	1	drop	potassium phosphate	1 (mM)
6	1	drop	2-phosphoglycolate	10 (mM)