6YFZ

Crystal structure of MKK7 (MAP2K7), apo form

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	2014-10-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.02823
Spacegroup name	P 21 21 21
Unit cell lengths	57.460, 74.451, 81.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.410 - 1.900
R-factor	0.1944
Rwork	0.192
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.016
RMSD bond angle	1.678
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.410	30.408	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.103	0.044	0.843
Rmeas	0.113	0.048	0.922
Rpim	0.045	0.020	0.367
Number of reflections	28220	998	4047
<I/σ(I)>	9.2	10.8	0.9
Completeness [%]	99.6	98.6	99.6
Redundancy	6.1	5.6	6.1
CC(1/2)	0.996		0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277.15	19% PEG3350, 0.15 M ammonium acetate, 0.1 M tris, pH 7.8