3TEI

Crystal structure of human ERK2 complexed with a MAPK docking peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-05-28
Detector	PSI PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	41.700, 58.980, 155.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.015 - 2.404
R-factor	0.1988
Rwork	0.197
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gph
RMSD bond length	0.005
RMSD bond angle	1.171
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_713))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.100	2.470
High resolution limit [Å]	2.400	2.400
Rmerge		0.690
Number of reflections	15190
<I/σ(I)>		2.97
Completeness [%]	99.9	100
Redundancy	12.49	12.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	296	27-29% PEG 6000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K