4H3Q

Crystal structure of human ERK2 complexed with a MAPK docking peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-31
Detector	PSI PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.750, 58.530, 159.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.149 - 2.200
R-factor	0.1839
Rwork	0.181
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tei
RMSD bond length	0.010
RMSD bond angle	1.415
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	20375
Completeness [%]	99.0	96.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	296	20% PEG1500, 0.1M MIB, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K