8D6F

Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41

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	2017-10-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979100
Spacegroup name	P 1 21 1
Unit cell lengths	50.748, 112.047, 72.506
Unit cell angles	90.00, 110.21, 90.00

Refinement procedure

Resolution	68.040 - 2.490
R-factor	0.216
Rwork	0.215
R-free	0.23950
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]	68.040	68.040	2.640
High resolution limit [Å]	2.490	7.450	2.490
Rmerge	0.053	0.040	0.532
Rmeas	0.075	0.056	0.752
Total number of observations	91995
Number of reflections	26430	3450	13020
<I/σ(I)>	6.08	14.11	0.71
Completeness [%]	82.0	87.8	76.9
Redundancy	1.066	1.019	1.086
CC(1/2)	0.996	0.994	0.618

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