9QFT

Crystal structure of Def2 in complex with actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	72.890, 72.890, 150.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.770 - 1.820
R-factor	0.1823
Rwork	0.180
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.770	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.060	1.360
Rmeas	0.061	1.389
Rpim	0.012	0.279
Number of reflections	37514	2780
<I/σ(I)>	28.72	2.01
Completeness [%]	99.9
Redundancy	26
CC(1/2)	1.000	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% (w/v) PEG4K, 10% (v/v) 2-Propanol, 0,1M Hepes pH 7.5