8P7J

Crystal structure of MAP2K6 with a covalent compound GCL96

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00003
Spacegroup name	P 2 21 21
Unit cell lengths	66.712, 96.920, 104.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 2.400
R-factor	0.19853
Rwork	0.196
R-free	0.25744
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.670
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	27286	2822
<I/σ(I)>	14.6
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.05M magnesium chloride -- 30% PEG500MME -- 0.1M HEPES pH 7.5