4TL0

Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation

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	2013-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.07106
Spacegroup name	P 21 21 21
Unit cell lengths	50.340, 77.794, 110.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.539 - 2.700
R-factor	0.1703
Rwork	0.168
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w4k
RMSD bond length	0.003
RMSD bond angle	0.697
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.05)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.539	77.794	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.065	0.836
Rmeas	0.191
Rpim	0.053	0.021	0.239
Total number of observations	159710	4949	22870
Number of reflections	12440
<I/σ(I)>	11.3	16.3	5.5
Completeness [%]	99.9	98.4	99.9
Redundancy	12.8	11	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	0.15 ammonium sulfate, 0.1M TRIS, pH 8.0, 15%(w/v) PEG 4000