6FN5

Crystal structure of ERK2 in complex with an adenosine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-02-10
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	49.425, 69.888, 59.452
Unit cell angles	90.00, 109.52, 90.00

Refinement procedure

Resolution	23.292 - 1.932
R-factor	0.209
Rwork	0.207
R-free	0.24060
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]	27.298	28.595	2.040
High resolution limit [Å]	1.932	6.110	1.932
Rmerge	0.061	0.017	0.525
Rmeas	0.085	0.028	0.726
Rpim	0.052	0.018	0.423
Total number of observations	72769	2159	9067
Number of reflections	27188	892	3382
<I/σ(I)>	8.4	29.5	1
Completeness [%]	94.7	94.7	80.8
Redundancy	2.7	2.4	2.7

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