1ADC

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	51.900, 44.800, 93.000
Unit cell angles	103.10, 87.80, 70.40

Refinement procedure

Resolution	? - 2.700
R-factor	0.17
Rwork	0.170
RMSD bond length	0.011
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]	2.700
Rmerge	0.127 *
Total number of observations	36058 *
Number of reflections	19251
Completeness [%]	92.0

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)