8D6E

Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306

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)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	51.243, 112.014, 72.978
Unit cell angles	90.00, 109.87, 90.00

Refinement procedure

Resolution	47.820 - 2.150
R-factor	0.1915
Rwork	0.190
R-free	0.21770
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]	47.820	47.820	2.280
High resolution limit [Å]	2.150	6.390	2.150
Rmerge	0.021	0.010	1.032
Rmeas	0.029	0.014	1.408
Total number of observations	144392
Number of reflections	40791	2757	11324
<I/σ(I)>	16.97	58.14	0.75
Completeness [%]	86.6	86.8	84.2
Redundancy	1.997	1.895	2.081
CC(1/2)	1.000	0.999	0.356

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