4L67

Crystal Structure of Catalytic Domain of PAK4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	200
Detector technology	CCD
Collection date	2013-04-23
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	65.175, 65.175, 184.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.460 - 2.800
R-factor	0.23308
Rwork	0.228
R-free	0.33330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fij
RMSD bond length	0.011
RMSD bond angle	1.805
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.460	61.490
High resolution limit [Å]	2.800	2.800
Number of reflections	9878
Completeness [%]		99.1
Redundancy	4.8	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1M Tris pH 8.5, 12%(M/V) PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K