1PGQ

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 * - 3.170
R-factor	0.169
Rwork	0.169
RMSD bond length	0.043
RMSD bond angle	1.730 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	3.170 *
Rmerge	0.063 *
Total number of observations	29208 *
Number of reflections	8942 *
Completeness [%]	92.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	50 (mM)
2	1	1	potassium phosphate