2J4L

Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UTP to 2.8 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-30
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	224.750, 79.030, 223.470
Unit cell angles	90.00, 96.56, 90.00

Refinement procedure

Resolution	29.630 - 2.800
R-factor	0.246
Rwork	0.246
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	URIDYLATE KINASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH UMP AND AMPPCP - HEXAMER - WITHOUT LIGANDS
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.520	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.080	0.540
Number of reflections	92163
<I/σ(I)>	12.7	1.9
Completeness [%]	94.5	85.9
Redundancy	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8		PROTEIN SOLUTION (2UL) IN 10 MM TRIS/CL PH 7.6 WITH 4.6 MG/ML SSUMPK, 2 MM UTP, 5 MM MGCL2 MIXED WITH 2UL MOTHER SOLUTION. MOTHER SOLUTION: 1.8 M SODIUM FORMATE, 0.1 M SODIUM ACETATE PH 4.8. HANGIGN DROP VAPOR DIFFUSION