8DRJ

Apo B2 dimer (H60/H100/H104) formed in the presence of Cu(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.23981
Spacegroup name	C 1 2 1
Unit cell lengths	89.320, 48.020, 45.120
Unit cell angles	90.00, 96.18, 90.00

Refinement procedure

Resolution	44.860 - 2.400
R-factor	0.2008
Rwork	0.191
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.009
RMSD bond angle	1.032
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.860	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.039	0.083
Rmeas	0.055	0.117
Rpim	0.039	0.083
Number of reflections	7510	1383
<I/σ(I)>	11.32	6.72
Completeness [%]	99.4	99.32
Redundancy	1.9	1.9
CC(1/2)	0.996	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	PEG3350 25%, (NH4)2SO4 200 mM, Tris 100 mM, CuCl2 4 mM