4U7Z

Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2006-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 62
Unit cell lengths	81.845, 81.845, 129.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.659 - 2.805
R-factor	0.1634
Rwork	0.161
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s9j
RMSD bond length	0.009
RMSD bond angle	1.250
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge		0.588
Number of reflections	12041
<I/σ(I)>	17.9	1.2
Completeness [%]	80.6	88.6
Redundancy	1.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	291	The protein was concentrated to 15mg/ml and incubated with 10 fold molar excess inhibitor plus 1mM MgAMP-PNP before crystallization. MEK1 crystals grew from hanging drop vapor diffusion using 12% w/v PEG 8000, 0.4M NH4H2PO4 and 0.1M HEPES pH 6.9 at 18 degC.