9QFR

Crystal structure of Def1 in complex with actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	41.780, 44.480, 213.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 1.520
R-factor	0.1764
Rwork	0.175
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.979
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.114	0.709
Rmeas	0.118	0.736
Rpim	0.031	0.194
Number of reflections	62085	2498
<I/σ(I)>	10.99	1.59
Completeness [%]	99.5	88.9
Redundancy	14.4	13.9
CC(1/2)	0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	20% (w/v) PEG4K, 20% (v/v) 2-Propanol and 0,1M Na3-citrate pH 5.6