8PAR

Crystal structure of human MAP4K1 with an inhibitor, BAY-405

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	76.723, 100.205, 39.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.950 - 2.000
R-factor	0.24221
Rwork	0.240
R-free	0.29244
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.519
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.950	2.120
High resolution limit [Å]	2.000	2.000
Rmeas	0.113	1.694
Number of reflections	20999	3287
<I/σ(I)>	14.22	1.29
Completeness [%]	98.6	97.7
Redundancy	7.2	7.1
CC(1/2)	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M TRIS pH 8.0, 20 % MPD