7B9L

MEK1 in complex with compound 23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	57.950, 72.080, 158.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.760 - 1.700
R-factor	0.194
Rwork	0.193
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e8n
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.100	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.039	0.600
Number of reflections	473128	22824
<I/σ(I)>	20.9	1.8
Completeness [%]	99.4	93
Redundancy	6.4	4.5
CC(1/2)	0.990	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2