9TU0

Crystal structure of human ERK1 in complex with the KIM1 motif of the T. gondii protein GRA24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 65 2 2
Unit cell lengths	59.817, 59.817, 388.698
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.930 - 2.170
R-factor	0.2399
Rwork	0.237
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.551
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.700	2.380
High resolution limit [Å]	2.170	2.170
Rmerge	0.183	2.649
Rmeas	0.186	2.687
Rpim	0.032	0.442
Number of reflections	609516	32486
<I/σ(I)>	18.5	1.9
Completeness [%]	91.6	49
Redundancy	34	36.1
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M MES pH 7, 10% dioxane and 1.8 M ammonium sulphate