9N2O

Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-27-040SRM

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 9M
Wavelength(s)	1.12723
Spacegroup name	P 21 21 21
Unit cell lengths	46.850, 62.740, 87.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 1.490
R-factor	0.1678
Rwork	0.167
R-free	0.19060
Structure solution method	SIR
RMSD bond length	0.010
RMSD bond angle	1.162
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.550	1.530
High resolution limit [Å]	1.490	1.490
Rmerge	0.069	0.871
Rmeas	0.075	0.937
Rpim	0.027	0.343
Total number of observations	314807	22874
Number of reflections	43096	3141
<I/σ(I)>	13.5	2
Completeness [%]	99.9
Redundancy	7.3	7.3
CC(1/2)	0.998	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.6M Ammonium Sulfate