5BMS

Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	93
Detector technology	CCD
Collection date	2011-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	64.412, 64.412, 185.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.588 - 2.903
R-factor	0.1761
Rwork	0.173
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.855
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.900
Number of reflections	9264
<I/σ(I)>	25.6
Completeness [%]	99.9
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Tri-Potassium citrate and 20% PEG3350