1NDV

Crystal Structure of Adenosine Deaminase complexed with FR117016

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL24XU
Synchrotron site	SPring-8
Beamline	BL24XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-30
Detector	RIGAKU RAXIS V
Wavelength(s)	0.836
Spacegroup name	P 43 21 2
Unit cell lengths	78.030, 78.030, 136.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.23
Rwork	0.225
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.036 *
RMSD bond angle	5.000 *
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.278
Number of reflections	18880
Completeness [%]	97.2 *	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	293	Kinoshita, T., (1999) Acta Crystallogr.,Sect., D55, 2031. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.0-2.2 (M)
2	1	reservoir	PEG400	2 (%(v/v))
3	1	reservoir	HEPES	0.1 (M)	pH7.5
4	1	drop	protein	20 (mg/ml)
5	1	drop	Tris-HCl	50 (mM)	pH7.5
6	1	drop	purine riboside	10 (mM)