9CLB

Crystal structure of Bak bound to the inhibitory aBAK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	P 1
Unit cell lengths	48.497, 74.493, 76.315
Unit cell angles	113.13, 90.15, 105.51

Refinement procedure

Resolution	40.560 - 2.860
R-factor	0.2236
Rwork	0.221
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2imt
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_3965)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.600	2.960
High resolution limit [Å]	2.860	2.860
Rmeas	0.200	1.220
Number of reflections	21041	1921
<I/σ(I)>	4.7	1.44
Completeness [%]	96.9
Redundancy	3.1
CC(1/2)	0.983	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.2 M L-Proline and 10% (w/v) polyethylene glycol (PEG) 3350