3EQC

X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	77.220, 77.220, 222.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.201
Rwork	0.199
R-free	0.23500
RMSD bond length	0.010
RMSD bond angle	1.175
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.056	0.035	0.656
Number of reflections	38811
<I/σ(I)>	12.9
Completeness [%]	99.2	92.5	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	281	0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K