3EQG

X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP 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)	1.00000
Spacegroup name	P 61 2 2
Unit cell lengths	76.000, 76.000, 222.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.540 - 2.500
R-factor	0.21
Rwork	0.207
R-free	0.27300
RMSD bond length	0.011
RMSD bond angle	1.431
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	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.108	0.068	0.441
Number of reflections	13873
<I/σ(I)>	11.4
Completeness [%]	99.6	93.2	100
Redundancy	10.8	8.5	11.3

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