1BPW

BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	275
Detector technology	IMAGE PLATE
Collection date	1997-03-15
Detector	RIGAKU RAXIS
Spacegroup name	P 1
Unit cell lengths	85.400, 86.570, 89.810
Unit cell angles	105.32, 113.29, 98.16

Refinement procedure

Resolution	80.000 - 2.800
R-factor	0.239
Rwork	0.239
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a4s
RMSD bond length	0.014
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.980
High resolution limit [Å]	2.800	2.800
Rmerge	0.124 *
Number of reflections	49784
<I/σ(I)>	5	1.6
Completeness [%]	92.6	88.5
Redundancy	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.1 *	14 *	PROTEIN WAS CRYSTALLIZED AT 14 DEGREES FROM 20% PEG 4000, 9.5% ISOPROPANOL, 100 MM HEPES, PH 7.5, temperature 287K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)
2	1	reservoir	isopropanol	9.5 (%)
3	1	reservoir	PEG4000	20 (%)
4	1	drop	protein	4 (mg/ml)
5	1	drop	NAD+	1 (mM)
6	1	drop	Bis-Tris	20 (mM)
7	1	drop		150 (mM)
8	1	drop	DTE	0.1 (mM)