6I8Z

Crystal structure of PTK2 in complex with BI-4464.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2008-09-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9102
Spacegroup name	P 21 21 21
Unit cell lengths	48.050, 77.090, 82.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.770 - 1.990
R-factor	0.185
Rwork	0.183
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2etm
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.770	20.770	2.110
High resolution limit [Å]	1.990	7.790	1.990
Rmerge	0.064	0.022	0.406
Rmeas	0.076	0.027	0.483
Total number of observations	133472
Number of reflections	40206	693	6481
<I/σ(I)>	13.48	38.75	2.82
Completeness [%]	96.9	93.6	97.6
Redundancy	3.32	3.117	3.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	7%PEG1500, 100 mM SPG buffer, 5 mg/mL