8YP4

Structure of MAP2K1 complexed with 5Z7-oxozeaenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	47.364, 128.947, 65.689
Unit cell angles	90.00, 94.86, 90.00

Refinement procedure

Resolution	45.930 - 2.350
R-factor	0.21023
Rwork	0.206
R-free	0.28403
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.426
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.194	2.490
High resolution limit [Å]	2.350	2.350
Number of reflections	32615	17348
<I/σ(I)>	10.15
Completeness [%]	99.6
Redundancy	4
CC(1/2)	0.997	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	8% Tacsimete pH 5.0, 19.5% PEG 3350