1RXU

E. coli uridine phosphorylase: thymidine 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	2002-08-06
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	156.244, 97.655, 161.453
Unit cell angles	90.00, 118.23, 90.00

Refinement procedure

Resolution	25.000 - 3.100
R-factor	0.21256
Rwork	0.212
R-free	0.22945
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A SINGLE HEXAMER (CHAINS ABCDEF) OF THE 5-FLUOROURACIL PHOSPHATE UP COMPLEX MODEL.
RMSD bond length	0.010
RMSD bond angle	1.162
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]	41.890	3.260
High resolution limit [Å]	3.100	3.100
Rmerge	0.158	0.529
Number of reflections	76410
<I/σ(I)>	4.7	1.4
Completeness [%]	98.2	97
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH METHOD UNDER OIL	7.5	289	TRIS HCL, PEG4000, POTASSIUM ACETATE, THYMIDINE, POTASSIUM PHOSPHATE, pH 7.50, BATCH METHOD UNDER OIL, temperature 289K