4R2X

Unique conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis uridine phosphorylase in the free form and in complex with uridine

Replaces:  4HEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL24XU
Synchrotron site	SPring-8
Beamline	BL24XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-20
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	91.540, 95.930, 91.610
Unit cell angles	90.00, 120.00, 90.00

Refinement procedure

Resolution	29.660 - 0.930
R-factor	0.15
Rwork	0.149
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rxy
RMSD bond length	0.014
RMSD bond angle	1.690
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.350	1.000
High resolution limit [Å]	0.930	0.950
Rmerge	0.126	0.661
Number of reflections	883288
<I/σ(I)>	12.2	2.6
Completeness [%]	93.5	93.4
Redundancy	5.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	293	0.75M ammonium sulfate, 0.1M Bis-Tris, pH 5.5, 0.75% (w/v) PEG 3350, 25% (v/v) glycerol, temperature 293K, FREE INTERFACE DIFFUSION, temperature 293.0K