4XEV

Fusion of Pyk2-FAT domain with Leupaxin LD1 motif, complexed with Leupaxin LD4 peptide

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	2013-10-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	52.078, 79.235, 53.227
Unit cell angles	90.00, 117.62, 90.00

Refinement procedure

Resolution	27.263 - 2.007
R-factor	0.2064
Rwork	0.204
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gm3
RMSD bond length	0.007
RMSD bond angle	0.959
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.120
High resolution limit [Å]	2.000	2.000
Rmerge		0.428
Number of reflections	25954
<I/σ(I)>	18.6	2.4
Completeness [%]	95.5	77.3
Redundancy	4.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.2	The 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 MES pH 6.5 and 25 % PEG 3000).