1J1B

Binary complex structure of human tau protein kinase I with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL24XU
Synchrotron site	SPring-8
Beamline	BL24XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	0.835
Spacegroup name	P 21 21 21
Unit cell lengths	82.800, 86.300, 178.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 1.800
R-factor	0.216 *
Rwork	0.216
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.150 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	1.880
High resolution limit [Å]	1.700	1.800
Rmerge	0.056 *
Total number of observations	525584 *
Number of reflections	115006
Completeness [%]	90.0	88.6
Redundancy	6.4 *

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

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