1UML

Crystal structure of adenosine deaminase complexed with a potent inhibitor FR233624

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	2003-06-30
Detector	RIGAKU RAXIS
Wavelength(s)	0.836
Spacegroup name	P 43 21 2
Unit cell lengths	78.320, 78.320, 138.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.500
R-factor	0.23
Rwork	0.226
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.680	2.660
High resolution limit [Å]	2.500	2.500
Number of reflections	15505
Completeness [%]	99.7	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Ammonium sulphate, PEG400, MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K