4YO4

Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	47.004, 62.523, 88.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.480 - 1.600
R-factor	0.15841
Rwork	0.157
R-free	0.18499
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jks
RMSD bond length	0.011
RMSD bond angle	1.481
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.056	0.034	0.538
Total number of observations	175450
Number of reflections	34446
<I/σ(I)>	13.4
Completeness [%]	97.4	90.2	99.5
Redundancy	5.1	4.9	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M sodium chloride, 0.1 M HEPES, 1.6 M ammonium sulfate