3W8R

Mutant structure of Thermus thermophilus HB8 uridine-cytidine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	68.300, 124.100, 60.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.800 - 2.500
Rwork	0.221
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.800	23.800	2.540
High resolution limit [Å]	2.500	6.740	2.500
Rmerge	0.086	0.046	0.361
Number of reflections	17692
<I/σ(I)>	10.3
Completeness [%]	94.7	98.2	94.1
Redundancy	5.6	5.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	50% of No 46 (0.1M sodium chloride, 0.1M BICINE, pH 9.0, 20% v/v polyethylene glycol monomethyl ether 550) from Crystal Screen II (Hampton Research), VAPOR DIFFUSION, HANGING DROP, temperature 293K