6QMO

Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308A mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	47.207, 75.752, 93.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.182 - 1.870
R-factor	0.1878
Rwork	0.186
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b4l
RMSD bond length	0.008
RMSD bond angle	0.833
Data reduction software	XDS
Data scaling software	Aimless (CCP4i2 v 0.0.5)
Phasing software	PHASER (1.9-1692)
Refinement software	REFMAC (CCP4i2 v 0.0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.210	1.870
High resolution limit [Å]	1.810	1.810
Rmerge	0.123	1.100
Rmeas	0.133	1.193
Rpim	0.051	0.457
Number of reflections	31119
<I/σ(I)>	9.3	1.5
Completeness [%]	98.8	97.1
Redundancy	6.6	6.6
CC(1/2)		0.242

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	20% PEG 3350, 0.2M magnesium formate