1Z34

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
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	37.940 - 2.400
R-factor	0.204
Rwork	0.204
R-free	0.24000
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]	37.940	2.550
High resolution limit [Å]	2.400	2.400
Number of reflections	15972
Completeness [%]	90.2	85.1

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