5DFP

Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2009-06-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	51.965, 103.819, 123.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.820 - 2.200
R-factor	0.1931
Rwork	0.190
R-free	0.24640
RMSD bond length	0.008
RMSD bond angle	1.136
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	17366
<I/σ(I)>	10.1
Completeness [%]	99.5
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	1 uL of PAK1 (9 mg/ml) with 1 uL of crystallization solution (0.1 M HEPES pH 7.0, 1 M NaCl, 25% PEG 3350, 10 mM DTT) at 4C