5CYF

Crystal structure of isoform 2 of uridine phosphorylase from Schistosoma mansoni in complex with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 31 2 1
Unit cell lengths	112.530, 112.530, 152.351
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.770 - 1.983
R-factor	0.1709
Rwork	0.169
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eue
RMSD bond length	0.011
RMSD bond angle	1.245
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.454	31.770	2.090
High resolution limit [Å]	1.983	6.270	1.980
Rmerge		0.040	0.598
Rmeas	0.107
Rpim	0.049	0.021	0.307
Total number of observations	338455	11970	46298
Number of reflections	74612
<I/σ(I)>	9.7	22.6	2.4
Completeness [%]	96.0	98.3	90.4
Redundancy	4.5	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	16% PEG4000, 20% isopropanol, 100 sodium citrate tribasic pH 5.6