7UCD

Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-10
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	48.260, 67.670, 122.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 - 3.210
R-factor	0.2845
Rwork	0.280
R-free	0.32970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpf poly-alanine
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.923	2.779
High resolution limit [Å]	2.446	2.446
Rmerge	0.216	2.605
Rmeas	0.233	2.804
Rpim	0.085	1.019
Number of reflections	3060	191
<I/σ(I)>	6.7	1.3
Completeness [%]	84.9	72.7
Redundancy	7.2	7
CC(1/2)	0.996	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM Tris HCl pH 7.0, 40% (v/v) Ethanol