3EQD

X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Wavelength(s)	1.54178
Spacegroup name	P 61 2 2
Unit cell lengths	77.010, 77.010, 222.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.247
Rwork	0.209
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.150
High resolution limit [Å]	2.100	5.170	2.100
Rmerge	0.061	0.023	0.490
Number of reflections	23271
<I/σ(I)>	10.5
Completeness [%]	97.7	98	79.3
Redundancy	7.6	7.1	5.7

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