6YG1

Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	127.160, 67.870, 142.780
Unit cell angles	90.00, 114.76, 90.00

Refinement procedure

Resolution	64.830 - 2.220
R-factor	0.2051
Rwork	0.204
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.013
RMSD bond angle	1.407
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.830	58.511	2.340
High resolution limit [Å]	2.220	7.020	2.220
Rmerge	0.090	0.050	0.661
Rmeas	0.105	0.059	0.779
Rpim	0.053	0.030	0.406
Number of reflections	54756	1812	7970
<I/σ(I)>	8.2	10.7	1.1
Completeness [%]	99.8	99.4	99.8
Redundancy	3.7	3.5	3.5
CC(1/2)	0.996		0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	27% PEG3350, 0.2 M potassium thiocyanate, 10% ethylene glycol, 0.1 M bis-tris propane, pH 7.5