2X4Z

Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	55.654, 65.923, 84.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.510 - 2.100
R-factor	0.2
Rwork	0.200
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	CNS (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.560
Number of reflections	18889
<I/σ(I)>	16.95	2.15
Completeness [%]	99.9	98.2
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1