3GM1

Crystal Structure of the Focal Adhesion Targeting (FAT) Domain of Pyk2 in Complex with Paxillin LD4 Motif-Derived Peptides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 41 21 2
Unit cell lengths	73.774, 73.774, 156.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.670 - 2.950
R-factor	0.23586
Rwork	0.233
R-free	0.28986
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gm2
RMSD bond length	0.011
RMSD bond angle	1.350
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.060
High resolution limit [Å]	2.950	2.950
Number of reflections	9532
Completeness [%]	97.5	80.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	298	4.1 M NaCl, 100 mM HEPES, 5% glycerol, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K