7PQV

MEK1 IN COMPLEX WITH COMPOUND 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97980
Spacegroup name	P 61 2 2
Unit cell lengths	77.158, 77.158, 222.649
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.820 - 2.130
R-factor	0.2389
Rwork	0.235
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.820	2.300
High resolution limit [Å]	2.130	2.130
Rmeas	0.081	0.479
Number of reflections	22886	4328
<I/σ(I)>	14.66	3.07
Completeness [%]	97.2	95.6
Redundancy	5.7	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		310	The purified protein was used in crystallisation trials employing both, a standard screen with approximately 1200 different conditions, as well as crystallisation conditions identified using literature data. Condi- tions initially obtained have been optimised using standard strategies, systematically varying parameters critically influencing crystallisation, such as temperature, protein concentration, drop ratio, and others. These conditions were also refined by systematically varying pH or precipitant concentrations.