4RZX

Crystal structure (type-3) of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7

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	IMAGE PLATE
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	49.934, 63.222, 138.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.20415
Rwork	0.201
R-free	0.25903
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2plr
RMSD bond length	0.015
RMSD bond angle	1.695
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.395
Number of reflections	20021
<I/σ(I)>	19.348	4.66
Completeness [%]	99.0	100
Redundancy	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	293	0.01 M Magnesium chloride hexahydrate, 0.005 M Nickel(II) chloride hexahydrate, 0.1 M HEPES sodium, 15% w/v Polyethylene glycol 3,350, 0.5 M Sodium fluoride, pH 7.0, Microbatch Underoil, temperature 293.0K, EVAPORATION