3IEX

Schistosoma Purine nucleoside phosphorylase in complex with guanosine

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
Detector	MAR CCD 165 mm
Wavelength(s)	1.43
Spacegroup name	P 21 21 21
Unit cell lengths	48.212, 118.195, 129.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.628 - 2.050
R-factor	0.1782
Rwork	0.175
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1td1
RMSD bond length	0.006
RMSD bond angle	1.044
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.050
Rmerge	0.049
Number of reflections	44386
Completeness [%]	94.1
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 1500, 20% GLYCEROL, 32mM SODIUM ACETATE, pH 4.9-5.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K