7CBX

Crystal structure of MAP2K7 complexed with a covalent inhibitor 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-03-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	60.965, 70.517, 84.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.162 - 2.061
Rwork	0.182
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y90
RMSD bond length	0.011
RMSD bond angle	1.696
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.060	2.060
Rmerge	0.062	0.470
Number of reflections	23058	3634
<I/σ(I)>	17.4
Completeness [%]	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG3350