1KIE

Inosine-adenosine-guanosine preferring nucleoside hydrolase from Trypanosoma vivax: Asp10Ala mutant in complex with 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	2001-08-20
Detector	MARRESEARCH
Wavelength(s)	0.97600
Spacegroup name	P 1 21 1
Unit cell lengths	53.270, 72.960, 71.530
Unit cell angles	90.00, 98.18, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1564 *
Rwork	0.156
R-free	0.21530 *
Structure solution method	ISOMORPHOUS TO INOSINE COMPLEX, PDB ENTRY 1KIC
Starting model (for MR)	1kic
RMSD bond length	0.010
RMSD bond angle	1.859
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.065	0.349
Number of reflections	36763
<I/σ(I)>	13.5	3.5
Completeness [%]	97.3	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	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	ammonium sulfate	1.6 (M)
3	1	reservoir	Tris	100 (mM)	pH8.5