6YG4

Crystal structure of MKK7 (MAP2K7) in complex with K00007

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	54.100, 72.630, 83.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.060 - 2.300
R-factor	0.2129
Rwork	0.211
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.012
RMSD bond angle	1.263
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]	36.060	36.059	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.066	0.045	0.745
Rmeas	0.075	0.051	0.835
Rpim	0.034	0.024	0.371
Number of reflections	15049	529	2162
<I/σ(I)>	11.2	10.3	1
Completeness [%]	99.6	97.4	99.8
Redundancy	4.6	4.1	4.7
CC(1/2)	0.998		0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	277.15	19% PEG3350, 0.1 M ammonium acetate, 0.1 M tris, pH 8.2