6QN4

Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308E mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	47.374, 77.478, 99.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.230 - 2.500
R-factor	0.2173
Rwork	0.215
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b4l
RMSD bond length	0.009
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (Phenix 1.9-1692)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.931	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.131
Rmeas	0.161
Rpim	0.093
Number of reflections	26520	1440
<I/σ(I)>	7.8
Completeness [%]	99.9	99.9
Redundancy	5.4	5.4
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	16% PEG 4000, 0.1 M Tris pH 8.5, 0.2 M sodium acetate