9DUE

Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-07-081a

This is a non-PDB format compatible entry.

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	2019-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	47.010, 62.684, 88.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 1.650
R-factor	0.15521
Rwork	0.154
R-free	0.18352
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.536
Data reduction software	HKL-3000 (2.3.15)
Data scaling software	HKL-3000 (2.3.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.057	0.881
Rmeas	0.062	0.961
Rpim	0.023	0.378
Number of reflections	32407	1594
<I/σ(I)>	28.3	2.1
Completeness [%]	100.0	100
Redundancy	7.2	6.3
CC(1/2)	0.998	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	Protein: 6.6 mg/ml, 0.25M Sodium chloride, 0.1M Tris-HCl (pH 8.0); Screen: 1.8M Ammomium sulfate, 0.2M Ammonium chloride; Soak: 24h, 1mM SRM-7-081a, 10% DMSO, 1.8M Ammonium sulfate, 0.2M Ammonium chloride; Cryo: 1.8M Ammonium sulfate, 25% sucrose.