4TXJ

Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9611
Spacegroup name	P 21 21 21
Unit cell lengths	95.820, 108.080, 116.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.090 - 1.662
R-factor	0.1871
Rwork	0.186
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eue
RMSD bond length	0.010
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.090	79.090	1.700
High resolution limit [Å]	1.660	7.430	1.660
Rmerge	0.122	0.074	0.593
Number of reflections	141838
<I/σ(I)>	7		2.1
Completeness [%]	99.9	98.3	100
Redundancy	4.4	4.1	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	200mM Ammonium suphate, 100mM Bis-Tris pH5.5, 20-25% Peg3350