4TXM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9136
Spacegroup name	P 21 21 21
Unit cell lengths	79.361, 84.872, 87.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.436 - 1.930
R-factor	0.2163
Rwork	0.214
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4txj
RMSD bond length	0.003
RMSD bond angle	0.670
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.040
High resolution limit [Å]	1.930	5.750	1.930
Rmerge	0.106	0.038	0.590
Rmeas	0.119	0.042	0.668
Total number of observations	209662
Number of reflections	43916	1843	6396
<I/σ(I)>	10.1	28.29	2.44
Completeness [%]	97.1	98.6	88.8
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	200mM ammonium sulphate, 100mM Bis-Tris pH5.5, 20-25% PEG 3350