4TXH

Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form

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	2011-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9611
Spacegroup name	P 21 21 21
Unit cell lengths	96.070, 109.030, 119.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.402 - 1.892
R-factor	0.2158
Rwork	0.215
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4txj
RMSD bond length	0.004
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.070	96.070	1.940
High resolution limit [Å]	1.890	8.460	1.890
Rmerge	0.077	0.057	0.546
Number of reflections	100065
<I/σ(I)>	10		2.3
Completeness [%]	99.9	98.3	100
Redundancy	4.4	4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	100mM Bis-Tris pH 5.5. 20-25% PEG3350