7JV0

Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	CCD
Collection date	2018-08-19
Detector	RAYONIX MX-300
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	137.660, 137.660, 220.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 3.630
R-factor	0.2466
Rwork	0.246
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y4i
RMSD bond length	0.004
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc1_3177))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.720
High resolution limit [Å]	3.630	3.630
Number of reflections	14594	1059
<I/σ(I)>	15.1
Completeness [%]	99.9
Redundancy	11.74
CC(1/2)	0.999	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 2000, MES, pH 6.5, Magnesium acetate