1LIJ

STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP

Replaces:  1DH1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-03-30
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	167.700, 46.970, 44.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.840 *
R-factor	0.181 *
Rwork	0.185
R-free	0.23900
RMSD bond length	0.013 *
RMSD bond angle	1.990 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	EPMR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.900
High resolution limit [Å]	1.840 *	1.700
Rmerge	0.087	0.350 *
Total number of observations	124975 *
Number of reflections	32045 *
<I/σ(I)>	5
Completeness [%]	97.0 *	97 *
Redundancy	3.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	adenosine	5 (mM)
3	1	reservoir		1.1 (M)
4	1	reservoir		10 (mM)
5	1	reservoir	sodium cacodylate	50 (mM)	pH6.5