4E1V

X-RAY Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with 5-Fluorouracil at 2.15 A Resolution

Replaces:  3NSR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	158.490, 93.210, 149.970
Unit cell angles	90.00, 90.82, 90.00

Refinement procedure

Resolution	28.875 - 2.150
R-factor	0.196
Rwork	0.194
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fwp
RMSD bond length	0.007
RMSD bond angle	0.966
Data reduction software	DENZO
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.200
High resolution limit [Å]	2.150	10.000	2.150
Rmerge	0.069	0.023	0.640
Number of reflections	115000	1012	7687
<I/σ(I)>	12.11	33.92	1.89
Completeness [%]	96.8	80.8	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	298	20% PEG 4000, 0.2M magnesium chloride, 0.1M cacodylate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K