4LMN

Crystal Structure of MEK1 kinase bound to GDC0973

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	93
Detector technology	CCD
Collection date	2008-03-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 62
Unit cell lengths	81.610, 81.610, 129.809
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.690 - 2.800
R-factor	0.1932
Rwork	0.191
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.280
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	12090
<I/σ(I)>	2.7	2.7
Completeness [%]	99.9	100
Redundancy		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	291	12% w/v PEG 8000, 0.4M NH4H2PO4, 0.1M HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K