7XLP

MEK1 bound to DS03090629

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	76.760, 76.760, 222.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.500 - 2.100
R-factor	0.22
Rwork	0.219
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bx0
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.500	49.500	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.327	0.077	7.849
Rmeas	0.337	0.080	8.063
Rpim	0.079	0.021	1.810
Total number of observations	436693	5502	37126
Number of reflections	23655	410	1891
<I/σ(I)>	9.2	24.9	1.7
Completeness [%]	99.9	99.5	99.9
Redundancy	18.5	13.4	19.6
CC(1/2)	0.995	0.997	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	277	100 mM Tris (pH 7.75), 200 mM calcium chloride, 2% DMSO, 18-20% PEG 3350