1ADF

CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN

Experimental procedure

Spacegroup name	C 2 2 21
Unit cell lengths	56.300, 75.400, 181.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.900
R-factor	0.15
Rwork	0.150
RMSD bond length	0.017
RMSD bond angle	3.400
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.900 *
Rmerge	0.081 *
Number of reflections	22631 *
Completeness [%]	97.0 *

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	reservoir	ethanol	4-15 (%(v/v))
2	1	reservoir	Tris	50 (mM)