1RXS

E. coli uridine phosphorylase: 2'-deoxyuridine phosphate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	115
Detector technology	IMAGE PLATE
Collection date	2002-08-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	160.958, 98.212, 242.729
Unit cell angles	90.00, 109.09, 90.00

Refinement procedure

Resolution	26.750 - 2.800
R-factor	0.17794
Rwork	0.176
R-free	0.21814
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DETWINNED HEXAMERIC NATIVE UP
RMSD bond length	0.013
RMSD bond angle	1.362
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.490	2.940
High resolution limit [Å]	2.800	2.800
Rmerge	0.123	0.413
Number of reflections	173525
<I/σ(I)>	5.4	1.8
Completeness [%]	97.8	95.3
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH METHOD UNDER OIL	7.5	289	TRIS HCL, PEG4000, POTASSIUM ACETATE, 2'-DEOXYURIDINE, SODIUM ORTHOVANADATE, pH 7.50, BATCH METHOD UNDER OIL, temperature 289K