2YAK

Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-28
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	50.300, 77.800, 111.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.530 - 2.200
R-factor	0.20146
Rwork	0.198
R-free	0.26043
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE STRUCTURE OF DAPK1
RMSD bond length	0.021
RMSD bond angle	1.824
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.530	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.100	0.820
Number of reflections	21538
<I/σ(I)>	13.9	1.8
Completeness [%]	95.1	96.8
Redundancy	5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				100 MM TRIS PH 7.2, 7.5-10% PEG 6000.