4YXR

CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor.

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	2004-06-17
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	72.841, 75.057, 79.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	2.000 - 2.000
R-free	0.25200
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNX
Refinement software	CNX

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.000
Number of reflections	30170
<I/σ(I)>	21.08
Completeness [%]	99.7
Redundancy	5.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	Protein: Mes-Bis-Tris 30mM pH 6,4, Lithium chloride 75mM, Dithiothreitol 1mM, Ethylenediaminetetraacetic acid disodium salt 0,1mM, Mega 8 0,15mM, PKA 10mg/ml Reservoir: Methanol 22%