1Z39

Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2'-deoxyinosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Wavelength(s)	0.9766
Spacegroup name	P 41 3 2
Unit cell lengths	136.800, 136.800, 136.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.260 - 2.600
R-factor	0.205
Rwork	0.205
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pke
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.260	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	13005
Completeness [%]	92.8	85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG400, ethylene glycol, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K