5IZF

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 65 2 2
Unit cell lengths	129.150, 129.150, 89.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.232
Rwork	0.230
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdk
RMSD bond length	0.008
RMSD bond angle	1.258
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	1.688
Number of reflections	26024
<I/σ(I)>	15.6
Completeness [%]	98.9
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	0.1M BisTris pH7.0, 0.2M amminium sulfate, 20%-24% PEG 3350