4TXN

Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-05-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	95.643, 107.488, 115.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.016 - 2.000
R-factor	0.1732
Rwork	0.172
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4txj
RMSD bond length	0.004
RMSD bond angle	0.865
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]	30.000		2.120
High resolution limit [Å]	2.000	5.880	2.000
Rmerge	0.098	0.027	0.539
Rmeas	0.114	0.031	0.630
Total number of observations	306780
Number of reflections	80105	3369	12190
<I/σ(I)>	11.61	36.66	2.41
Completeness [%]	98.6	98.2	94.4
Redundancy	3.8

Crystallization Conditions

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