1XTU

Sulfolobus solfataricus uracil phosphoribosyltransferase in complex with uridine 5'-monophosphate (UMP) and cytidine 5'-triphosphate (CTP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-19
Detector	MARRESEARCH
Wavelength(s)	1.098
Spacegroup name	P 1
Unit cell lengths	71.670, 76.510, 91.450
Unit cell angles	109.00, 90.76, 115.40

Refinement procedure

Resolution	24.750 - 2.800
Rwork	0.222
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Sulfolobus solfataricus UPRTase PDB ID 1XTT
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.910
High resolution limit [Å]	2.800	2.800
Number of reflections	40931
<I/σ(I)>	6.6	1.9
Completeness [%]	98.5	97.7
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 4000, magnesium chloride, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K