9SDI

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-(1H-Pyrazol-4-yl)-nicotinic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 1
Unit cell lengths	45.431, 50.336, 66.634
Unit cell angles	98.99, 101.28, 95.12

Refinement procedure

Resolution	25.480 - 2.530
R-factor	0.1843
Rwork	0.181
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.029
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.485	2.690
High resolution limit [Å]	2.530	2.530
Rmeas	0.056	0.266
Number of reflections	28926	3916
<I/σ(I)>	13.6
Completeness [%]	88.9
Redundancy	1.7
CC(1/2)	0.996	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20% w/v PEG MME 2000, 0.1 M Tris, 0.2 M trimethylamine N.oxide