4XEK

Pyk2-FAT domain in complex with leupaxin LD4 motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	138.006, 30.547, 40.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.977 - 1.793
R-factor	0.2094
Rwork	0.208
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gm3
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.860
High resolution limit [Å]	1.793	1.793
Rmerge		0.368
Number of reflections	16154
<I/σ(I)>	46.9	3.5
Completeness [%]	95.9	76.2
Redundancy	8.9	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291.2	4 ul drop contained 2 ul protein/LD4 peptide mixture (20 mM MES, pH 6.2, 1 mM protein, and 2 mM peptide) and 2 ul well solution (100 mM Tris pH 9.0 and 45 % PEG 600)