3CEK

Crystal structure of human dual specificity protein kinase (TTK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97912
Spacegroup name	I 2 2 2
Unit cell lengths	69.846, 107.467, 111.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.000 - 2.300
R-factor	0.188
Rwork	0.184
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2QKR 2h9v 2f2u 2EUE
RMSD bond length	0.015
RMSD bond angle	1.472
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.456	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.084	0.898
Number of reflections	19054
<I/σ(I)>	17.1	2.5
Completeness [%]	99.8	99.1
Redundancy	10.8	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	277	55% PEG 300, 0.25M NaCl, Na/K Phosphate pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K