1TKI

AUTOINHIBITED SERINE KINASE DOMAIN OF THE GIANT MUSCLE PROTEIN TITIN

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	78.610, 89.770, 113.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.207
Rwork	0.207
R-free	0.24800
Structure solution method	MR + SINGLE CRYSTAL AVERAGING
Starting model (for MR)	TRIMMED VERSION OF THE CATALYTIC DOMAIN OF TWITCHIN KINASE (1KOB)
RMSD bond length	0.007
RMSD bond angle	23.980 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.390
High resolution limit [Å]	2.000	2.000
Rmerge	0.077 *	0.239 *
Number of reflections	53151
Completeness [%]	96.0	94.5 *
Redundancy	3.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.9 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium/potassium tartrate	1.1 (M)
2	1	reservoir	ethanol	2.5 (%(v/v))
3	1	reservoir	sodium acetate	25 (mM)
4	1	reservoir	imidazole	25 (mM)