6FJB

Crystal structure of ERK2 in complex with an adenosine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93300
Spacegroup name	P 1 21 1
Unit cell lengths	48.949, 71.325, 60.220
Unit cell angles	90.00, 108.96, 90.00

Refinement procedure

Resolution	37.138 - 1.850
R-factor	0.1851
Rwork	0.183
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyz
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.139	44.588	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.063	0.023	0.488
Rmeas	0.086	0.039	0.713
Rpim	0.059	0.027	0.482
Total number of observations	62181	1786	9428
Number of reflections	32674	961	4840
<I/σ(I)>	9	27	1.2
Completeness [%]	97.1	87.5	98.3
Redundancy	1.9	1.9	1.9

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