2J0I

CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-16
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	63.514, 63.514, 178.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.560 - 1.600
R-factor	0.174
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cdz
RMSD bond length	0.008
RMSD bond angle	1.147
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.550	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.090	0.400
Number of reflections	49277
<I/σ(I)>	13.34	3.62
Completeness [%]	99.9	99.5
Redundancy	7.33	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	150 UL SITTING DROPS, 4DEG, 0.2M K3(CIT), 0.1M BIS-TRIS PROPANE PH 6.5, 20% PEG3350, 10% ETHYLENE GLYCOL