8D6D

Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39

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	2020-09-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	51.460, 112.920, 72.660
Unit cell angles	90.00, 110.34, 90.00

Refinement procedure

Resolution	58.330 - 2.350
R-factor	0.2422
Rwork	0.241
R-free	0.27190
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]	58.330	58.330	2.490
High resolution limit [Å]	2.350	6.990	2.350
Rmerge	0.064	0.047	1.394
Rmeas	0.080	0.058	1.750
Total number of observations	82045
Number of reflections	30950	1176	4879
<I/σ(I)>	6.95	20.38	0.53
Completeness [%]	94.8	91.4	93.4
Redundancy	2.651	2.715	2.542
CC(1/2)	0.995	0.992	0.504

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