9N2M

Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-30-047SRM

This is a non-PDB format compatible entry.

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	2022-07-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12705
Spacegroup name	P 21 21 21
Unit cell lengths	47.300, 63.080, 88.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.540 - 1.350
R-factor	0.1461
Rwork	0.144
R-free	0.17680
Structure solution method	SIR
RMSD bond length	0.009
RMSD bond angle	1.088
Data reduction software	xia2
Data scaling software	Aimless (0.7.8)
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.240	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.057	0.324
Rmeas	0.062	0.349
Rpim	0.023	0.127
Total number of observations	417722	29308
Number of reflections	57668	4079
<I/σ(I)>	18.7	5.6
Completeness [%]	98.6
Redundancy	7.2	7.2
CC(1/2)	0.998	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2M LiSO4, 5% DMSO