6FLV

Crystal structure of ERK2 in complex with an adenosine derivative

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	2013-09-26
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97631
Spacegroup name	P 1 21 1
Unit cell lengths	48.636, 69.599, 59.696
Unit cell angles	90.00, 108.77, 90.00

Refinement procedure

Resolution	46.050 - 1.910
R-factor	0.1934
Rwork	0.192
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyz
Data reduction software	XDS
Data scaling software	SCALA (0.1.17)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.050	46.050	1.980
High resolution limit [Å]	1.910	7.400	1.910
Rmerge	0.090	0.070	0.651
Rmeas	0.106	0.083	0.799
Rpim	0.055	0.044	0.453
Number of reflections	28818	522	2482
<I/σ(I)>	8.9
Completeness [%]	98.2	97.9	86.7
Redundancy	3.7	3.5	2.8
CC(1/2)	0.995	0.990	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol, 0.002M magnesium sulfate