4FV2

Crystal Structure of the ERK2 complexed with EK5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	48.620, 70.310, 60.230
Unit cell angles	90.00, 109.46, 90.00

Refinement procedure

Resolution	44.180 - 2.000
R-factor	0.1812
Rwork	0.179
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT (BUSTER 2.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.000	55.000	2.060
High resolution limit [Å]	2.000	4.580	2.000
Rmerge	0.038	0.024	0.183
Number of reflections	24756
<I/σ(I)>	22.8
Completeness [%]	95.4	92.4	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	100 mM MES buffer, pH 6.5, 26-28% PEG-MME 2000, 200 mM ammonium sulfate and 20 mM 2-mercaptoethanol, vapor diffusion, temperature 298K