1ADB

CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES

Experimental procedure

Spacegroup name	P 1
Unit cell lengths	52.100, 44.700, 93.500
Unit cell angles	103.30, 87.90, 70.40

Refinement procedure

Resolution	? - 2.400
R-factor	0.18
Rwork	0.180
RMSD bond length	0.010
RMSD bond angle	25.100 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	2.400
Rmerge	0.098 *
Total number of observations	46920 *
Number of reflections	24289 *
Completeness [%]	82.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ethanol	10-17 (%(v/v))
3	1	reservoir	Tris-HCl	50 (mM)