1J1C

Binary complex structure of human tau protein kinase I with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	82.900, 86.100, 178.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.218 *
Rwork	0.218
R-free	0.24200
Structure solution method	MIR
RMSD bond length	0.007 *
RMSD bond angle	1.170 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	DM
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.200
High resolution limit [Å]	2.000	2.100
Rmerge	0.070 *
Total number of observations	619714 *
Number of reflections	86325
Completeness [%]	99.4	95
Redundancy	7.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	PEG6000, sodium chloride, magnesium chloride, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	PEG6000, sodium chloride, magnesium chloride, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	12-14 (%(w/v))
2	1	reservoir		100 (mM)
3	1	reservoir		5 (mM)
4	1	reservoir	glycerol	10 (%(v/v))
5	1	reservoir	HEPES-NaOH	100 (mM)
6	1	drop	protein	10 (mg/ml)
7	1	drop	ATP	2 (mM)	or AMPPNP