8D6C

Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979100
Spacegroup name	P 1 21 1
Unit cell lengths	51.640, 112.730, 72.660
Unit cell angles	90.00, 110.42, 90.00

Refinement procedure

Resolution	58.290 - 2.200
R-factor	0.2426
Rwork	0.241
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p1a
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.290	58.290	2.330
High resolution limit [Å]	2.190	6.550	2.190
Rmerge	0.071	0.053	1.600
Rmeas	0.084	0.063	1.877
Total number of observations	138123
Number of reflections	39393	1503	6259
<I/σ(I)>	7.38	22.14	0.55
Completeness [%]	98.7	97.5	97.4
Redundancy	3.506	3.328	3.573
CC(1/2)	0.996	0.994	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.25	293	5.6 to 6.6 % PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG