4FV5

Crystal Structure of the ERK2 complexed with EK9

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 21 21 21
Unit cell lengths	43.970, 71.070, 118.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.660 - 2.400
R-factor	0.206
Rwork	0.204
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
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	2.470
High resolution limit [Å]	2.400	5.490	2.400
Rmerge	0.111	0.044	0.397
Number of reflections	15220
<I/σ(I)>	9.4
Completeness [%]	99.0	98.2	97.2

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