4JNW

Bacterially expressed Titin Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	78.860, 89.730, 113.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.979 - 2.060
R-factor	0.1674
Rwork	0.166
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tki
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.979	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.091	0.562
Number of reflections	49576
<I/σ(I)>	13.9	3.6
Completeness [%]	97.9	95.4
Redundancy	5.1	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP