1NMZ

Crystal structure of human thymidylate kinase with NH2TMP and AppNHp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	101.301, 101.301, 49.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.600 - 1.750
Rwork	0.186
R-free	0.24300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012 *
RMSD bond angle	1.800 *
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.600	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.045 *	0.352 *
Total number of observations	142253 *
Number of reflections	25995
Completeness [%]	97.1	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	15-20% PEG 3350, 100 mM Tris/HCl, pH 8.0, 5% filtered dead sea water, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mM)
2	1	drop	AppNHp	2 (mM)