1K0U

Inhibition of S-adenosylhomocysteine Hydrolase by "acyclic sugar" Adenosine Analogue D-eritadenine

Replaces:  1D4G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	1999-08-20
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	89.870, 177.370, 112.160
Unit cell angles	90.00, 107.60, 90.00

Refinement procedure

Resolution	10.000 - 3.000
R-factor	0.183
Rwork	0.183
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d4f
RMSD bond length	0.007
RMSD bond angle	25.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.085	0.190
Total number of observations	241990 *
Number of reflections	59048 *
<I/σ(I)>	6.2	3.1
Completeness [%]	91.5 *	82
Redundancy	2.1	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	22 *	PEG 4000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium D-eritadenine	1 (mM)
2	1	drop	PEG4000	22 (%(w/v))
3	1	drop	Tris-HCl	50 (mM)
4	1	drop	isopropyl alcohol	10 (%(v/v))
5	1	drop	protein	10 (mg/ml)