1HP0

CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX IN COMPLEX WITH THE SUBSTRATE ANALOGUE 3-DEAZA-ADENOSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-20
Detector	MARRESEARCH
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	51.670, 74.290, 81.510
Unit cell angles	90.00, 103.54, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.191
Rwork	0.191
R-free	0.25390 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1hoz
RMSD bond length	0.009
RMSD bond angle	1.550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.062	0.377 *
Total number of observations	400764 *
Number of reflections	34667 *
<I/σ(I)>	15.7	2.33
Completeness [%]	98.7	96.1
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM tris, 1.6 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	Tris	100 (mM)	pH8.5
3	1	reservoir	ammonium sulfate	1.6 (M)