4YYY

X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	I 4
Unit cell lengths	193.933, 193.933, 57.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.057 - 2.430
R-factor	0.2072
Rwork	0.204
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xr5
RMSD bond length	0.008
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.060		2.570
High resolution limit [Å]	2.430	7.210	2.430
Rmerge	0.070	0.031	0.503
Rmeas	0.077	0.035	0.557
Total number of observations	173860
Number of reflections	38090	1372	6020
<I/σ(I)>	11.97	41.7	1.77
Completeness [%]	92.8	82.9	92.1
Redundancy	4.6		4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	0.1 M citric acid, 10% w/v PEG 6000