1NMX

Crystal structure of human thymidylate kinase with FLTMP and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Wavelength(s)	0.9076
Spacegroup name	P 43 21 2
Unit cell lengths	101.515, 101.515, 50.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 1.700
Rwork	0.183
R-free	0.22800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013 *
RMSD bond angle	1.400 *
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.100	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.283 *
Total number of observations	137414 *
Number of reflections	28602
<I/σ(I)>	10.6	3.94
Completeness [%]	97.5	99.3
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 3350, 100 mM Tris/HCl pH 8.0, 5% sterile 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	ADP	2 (mM)