1K04

Crystal Structure of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.931
Spacegroup name	C 2 2 21
Unit cell lengths	38.426, 95.555, 84.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.700 - 1.950
R-factor	0.243 *
Rwork	0.243
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.056 *	0.509 *
Total number of observations	36960 *
Number of reflections	11110
<I/σ(I)>	2.4	1.4
Completeness [%]	94.8	88.9
Redundancy	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	296	MES, NaCl, Na/K phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10 (mM)	pH8.0
2	1	drop		150 (mM)
3	1	drop	EDTA	2 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	drop	protein	20 (mg/ml)
6	1	reservoir	MES	0.1 (M)	pH6.5
7	1	reservoir		2.0 (M)
8	1	reservoir	sodium potassium phosphate	0.2 (M)