5VED

PAK4 kinase domain in complex with Staurosporine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97919
Spacegroup name	P 41 21 2
Unit cell lengths	62.716, 62.716, 177.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.020 - 2.301
R-factor	0.2305
Rwork	0.228
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fij
RMSD bond length	0.002
RMSD bond angle	0.550
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.089	0.946
Number of reflections	16575	1608
<I/σ(I)>	8	1.4
Completeness [%]	100.0	100
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M Tris-HCl (pH 7.5) and 1.5 - 2.0 M Na acetate