1BTO

HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE

Experimental procedure

Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-01
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	49.930, 180.200, 86.800
Unit cell angles	90.00, 106.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.19 *
Rwork	0.190
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hld
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.043 *	0.152 *
Number of reflections	78371
<I/σ(I)>	18.1	4.4
Completeness [%]	79.0	31
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7	4 *	THE PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE., batch dialysis

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	reservoir	ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate	50 (mM)
3	1	reservoir	NADH	0.66 (mM)
4	1	reservoir	P1	0.23 (mM)	or 0.76 mM P3
5	1	reservoir	MPD	25 (%)