4IZA

Structure of Dually Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Collection date	2011-12-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	73.758, 204.024, 61.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.720 - 1.930
R-factor	0.19889
Rwork	0.197
R-free	0.24261
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.319
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0107)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.720
High resolution limit [Å]	1.930
Rmerge	0.082
Number of reflections	66545
<I/σ(I)>	21.4
Completeness [%]	99.8
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2 M potassium phosphate monobasic and 20% w/v Polyethylene glycol 3,350, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K