5EY3

X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with cytidine and sulphate

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	2015-05-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 4
Unit cell lengths	193.398, 193.398, 58.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 1.905
R-factor	0.2018
Rwork	0.200
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xr5
RMSD bond length	0.006
RMSD bond angle	0.785
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	136.753	48.290	2.010
High resolution limit [Å]	1.905	6.020	1.905
Rmerge		0.020	1.207
Rmeas	0.103	0.023
Rpim	0.040	0.009	0.500
Total number of observations	537407	17952	82530
Number of reflections	80208	3331
<I/σ(I)>	16.4	66.9	1.8
Completeness [%]	94.9	99.6	99.5
Redundancy	6.7	6.4	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	0.1 M BICINE, 1.6 M Ammonium sulfate