3W34

Ternary complex of Thermus thermophilus HB8 uridine-cytidine kinase with substrates

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	2009-10-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	68.730, 126.952, 61.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 - 1.910
Rwork	0.209
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.000	24.000	1.930
High resolution limit [Å]	1.910	5.140	1.910
Rmerge	0.072	0.031	0.528
Number of reflections	42233
<I/σ(I)>	11.1
Completeness [%]	99.5	99.6	100
Redundancy	6.7	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	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 2 (Hampton Research), VAPOR DIFFUSION, temperature 293K