1PGP

CRYSTALLOGRAPHIC STUDY OF COENZYME, COENZYME ANALOGUE AND SUBSTRATE BINDING IN 6-PHOSPHOGLUCONATE DEHYDROGENASE: IMPLICATIONS FOR NADP SPECIFICITY AND THE ENZYME MECHANISM

Experimental procedure

Spacegroup name	C 2 2 21
Unit cell lengths	72.740, 148.400, 102.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.500
R-factor	0.17
Rwork	0.170
RMSD bond length	0.011
RMSD bond angle	1.300 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.500 *
Rmerge	0.083 *
Total number of observations	44279 *
Number of reflections	17989 *
Completeness [%]	92.8 *

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	6-phosphogluconate dehydrogenase	5 (mg/ml)
2	1	drop	6-phosphogluconate	30 (mM)
3	1	drop	ammonium sulfate	40 (%sat)
4	1	reservoir	ammonium sulfate	54 (%sat)