1TEH

STRUCTURE OF HUMAN LIVER CHICHI ALCOHOL DEHYDROGENASE (A GLUTATHIONE-DEPENDENT FORMALDEHYDE DEHYDROGENASE)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-03-22
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	141.250, 201.550, 69.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.206
Rwork	0.206
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	24.670 *
Data reduction software	PROCESS
Data scaling software	SCALE
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.700	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.095	0.250
Total number of observations	97001 *
Number of reflections	24896
<I/σ(I)>	7.8	2.2
Completeness [%]	89.5	67
Redundancy	4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8		15 MG/ML ENZYME IN 280 MM MES, PH 6.7, 2 MM NAD+, 8.0 % PEG8000 AT 295 K, SITTING-DROP METHOD.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	7.5-11 (mg/ml)
2	1	reservoir	MES	240 (mM)
3	1	reservoir	NAD+	2.0 (mM)
4	1	reservoir		0.01 (M)
5	1	reservoir	PEG8000	8.0 (%(w/v))