2J4K

Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UMP to 2.2 Angstrom resolution

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	2005-06-30
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	74.802, 136.043, 77.938
Unit cell angles	90.00, 113.17, 90.00

Refinement procedure

Resolution	21.670 - 2.200
R-factor	0.219
Rwork	0.219
R-free	0.25100
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	0.006
RMSD bond angle	1.200
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]	22.540	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.650
Number of reflections	72006
<I/σ(I)>	12	2.3
Completeness [%]	99.3	98.7
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		PROTEIN SOLUTION (2UL) IN 10 MM TRIS/CL PH 7.6 WITH 4.6 MG/ML SSUMPK AND 2 MM UMP AND 5 MM MGCL2 MIXED WITH 2 UL MOTHER SOLUTION. MOTHER SOLUTION: 0.65 M SODIUM ACETATE, 100 MM CDCL2, 0.1 M HEPES, PH 7.5. HANGING DROP VAPOR DIFFUSION TECHNIQUE