1ADG

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, 75.200, 182.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.700
R-factor	0.16
Rwork	0.160
RMSD bond length	0.018
RMSD bond angle	25.800 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.700 *
Rmerge	0.106 *
Total number of observations	23350 *
Completeness [%]	86.0 *

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	PEG400	4-15 (%(v/v))
3	1	reservoir	Tris-HCl	50 (mM)