6YG5

Crystal structure of MKK7 (MAP2K7) in complex with ASC69

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	59.660, 68.031, 84.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 2.400
R-factor	0.2333
Rwork	0.231
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.640	39.640	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.061	0.048	0.730
Rmeas	0.069	0.055	0.819
Rpim	0.031	0.026	0.364
Number of reflections	13948	500	2013
<I/σ(I)>	12.5	10.4	1
Completeness [%]	99.5	98.1	99.6
Redundancy	4.7	4.1	4.7
CC(1/2)	0.997		0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277.15	16% PEG3350, 0.2 M ammonium acetate, 0.1 M tris, pH 7.8