1PYD

CATALYTIC CENTERS IN THE THIAMIN DIPHOSPHATE DEPENDENT ENZYME PYRUVATE DECARBOXYLASE AT 2.4 ANGSTROMS RESOLUTION

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	141.950, 74.670, 119.950
Unit cell angles	90.00, 116.39, 90.00

Refinement procedure

Resolution	10.000 * - 2.400
R-factor	0.197
Rwork	0.197
RMSD bond length	0.015
RMSD bond angle	3.400
Phasing software	X-PLOR
Refinement software	GPRLSA

Data quality characteristics

	Overall
High resolution limit [Å]	2.400 *
Rmerge	0.069 *
Total number of observations	192609 *
Number of reflections	40681 *
Completeness [%]	92.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.3 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	pyruvate decarboxylase	5 (mg/ml)
2	1	drop	PEG8000	10 (%(w/v))	precipitant
3	1	drop	citric acid	0.02 (M)	or sodium citrate
4	1	drop	thiamin diphosphate	0.002 (M)
5	1	drop		0.002 (M)
6	1	drop	dithiothreitol	0.001 (M)