6YG0

Crystal structure of S287D,T291D MKK7 (MAP2K7), apo form

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	2015-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	60.370, 69.790, 84.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.190 - 2.000
R-factor	0.1968
Rwork	0.194
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.015
RMSD bond angle	1.442
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.190	36.187	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.066	0.052	0.952
Rmeas	0.071	0.057	1.030
Rpim	0.027	0.023	0.387
Number of reflections	24828	889	3550
<I/σ(I)>	13.8	8.2	0.8
Completeness [%]	100.0	99.4	100
Redundancy	6.7	6.1	6.8
CC(1/2)	0.997		0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	277.15	16% PEG3350, 0.25 M ammonium acetate, 0.1 M tris, pH 8.2