5H70

Crystal structure of ADP bound dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7

Replaces:  4RZU

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
Collection date	2008-11-06
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	49.171, 63.799, 141.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.456 - 2.400
R-factor	0.2361
Rwork	0.233
R-free	0.29990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2plr
RMSD bond length	0.009
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.046	0.385
Number of reflections	18674
<I/σ(I)>	57.9	8.05
Completeness [%]	99.8	99.9
Redundancy	6.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	50% PEG 200, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, ADP