9O73

Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-30-035SRM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12704
Spacegroup name	P 21 21 21
Unit cell lengths	46.931, 62.407, 88.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.200 - 1.490
R-factor	0.1713
Rwork	0.170
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.959
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.980	1.570
High resolution limit [Å]	1.490	1.490
Rmerge	0.087	1.238
Rmeas	0.093	1.327
Rpim	0.034	0.472
Total number of observations	315646	46607
Number of reflections	42907	6158
<I/σ(I)>	11.6	1.8
Completeness [%]	99.5
Redundancy	7.4	7.6
CC(1/2)	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	2M LiSO4, 5mM MW01-30-035SRM