3FNQ

Crystal structure of schistosoma purine nucleoside phosphorylase in complex with hypoxanthine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	47.941, 118.208, 129.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.299 - 1.850
R-factor	0.174
Rwork	0.172
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1td1
RMSD bond length	0.006
RMSD bond angle	1.074
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.406	130.190	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.052	0.030	0.328
Total number of observations		7292	29740
Number of reflections	63249
<I/σ(I)>	9.26	18.9	2.3
Completeness [%]	99.1	98.8	97.8
Redundancy	3.4	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	18-20% PEG1500, 20% glycerol, 32mM Sodium Acetate, pH 4.9-5.0, vapor diffusion, temperature 277K