3DBQ

Crystal structure of TTK kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	105.847, 106.427, 70.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.510 - 2.700
Rwork	0.226
R-free	0.28520
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.208
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Rmerge	0.039
Number of reflections	11018
<I/σ(I)>	40
Completeness [%]	88.9
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.33	298	11% PEG 5000 MME, 100mM NaCl, 0.05M Na2HPO4/KH2PO4, pH 6.33, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.33	298	11% PEG 5000 MME, 100mM NaCl, 0.05M Na2HPO4/KH2PO4, pH 6.33, VAPOR DIFFUSION, HANGING DROP, temperature 298K