9N1T

Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-26-100

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	2022-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.12723
Spacegroup name	P 21 21 21
Unit cell lengths	46.950, 62.520, 88.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.610 - 1.430
R-factor	0.13762
Rwork	0.136
R-free	0.17647
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.559
Data reduction software	xia2
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.410	1.470
High resolution limit [Å]	1.430	1.430
Rmerge	0.062	0.889
Rmeas	0.066	0.959
Rpim	0.024	0.356
Number of reflections	48766	3562
<I/σ(I)>	14	2
Completeness [%]	100.0	100
Redundancy	7.2	7.1
CC(1/2)	0.999	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Protein: 6.6 mg/ml, 0.25M Sodium chloride, 0.1M Tris-HCl (pH 8.0); Screen: 1.8M Ammomium sulfate, 0.2M Ammonium chloride; Soak: 24h, 1mM SRM-25-071, 10% DMSO, 1.8M Ammonium sulfate, 0.2M Ammonium chloride; Cryo: 1.8M Ammonium sulfate, 25% sucrose.