3U3F

Structural basis for the interaction of Pyk2 PAT domain with paxillin LD motifs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.599, 83.747, 170.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.848 - 3.101
R-factor	0.2204
Rwork	0.218
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gm1
RMSD bond length	0.008
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (Molecular Replacement)
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.210
High resolution limit [Å]	3.100	3.100
Number of reflections	21900
<I/σ(I)>	25.8	1.8
Completeness [%]	97.9	94.4
Redundancy	5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	291.2	The 4 ul drop contained 2 ul protein-LD4 peptide mixture (20mM Mes, pH6.2, 1mM protein, 2 mM peptide) and 2 ul ML (100 mM MES pH6.3, 4.2 M NaCl, 2%(v/v) glycerol., VAPOR DIFFUSION, SITTING DROP, temperature 291.2K