1DGM

CRYSTAL STRUCTURE OF ADENOSINE KINASE FROM TOXOPLASMA GONDII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1998-11-24
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	47.550, 68.750, 57.290
Unit cell angles	90.00, 100.30, 90.00

Refinement procedure

Resolution	46.780 - 1.800
R-factor	0.214
Rwork	0.214
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HUMAN ADENOSINE KINASE (PDB 1BX4)
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.043	0.210 *
Total number of observations	317522 *
Number of reflections	33069 *
<I/σ(I)>	13.2
Completeness [%]	98.6	89.3
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	Recacha, R., (2000) Acta Crystallogr. Sect., D56, 76. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	sodium sulfate	1.0 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
4	1	drop	adenosine	0.020 (mM)
5	1	drop		2 (mM)