7L07

Last common ancestor of HMPPK and PLK/HMPPK vitamin kinases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45854
Spacegroup name	P 65 2 2
Unit cell lengths	65.644, 65.644, 243.726
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.580 - 2.000
R-factor	0.2079
Rwork	0.207
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c5k
RMSD bond length	0.007
RMSD bond angle	1.017
Data reduction software	XDS (1.0)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.145	1.070
Rmeas	0.152
Rpim	0.046	0.352
Number of reflections	22065	2142
<I/σ(I)>	13.52	2.06
Completeness [%]	99.9	99.86
Redundancy	10.9	10
CC(1/2)	0.998	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Protein: 20 mM tris 7.8, 10 mM MgCl, 10 mM ADP, 1 mM AlCl3 and 30 mM NaF. Crystalization condition: 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 7.0 and 10% w/v PEG 8000