8SRY

Crystal structure of BAK-BAX heterodimer with C12E8

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	CCD
Collection date	2016-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 61
Unit cell lengths	43.963, 43.963, 220.041
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.070 - 2.400
R-factor	0.2177
Rwork	0.214
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.070	38.070	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.141	0.031	2.092
Rmeas	0.145	0.032	2.149
Number of reflections	9478	115	718
<I/σ(I)>	19.73
Completeness [%]	99.9
Redundancy	19
CC(1/2)	0.999	1.000	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	30% PEG MME 2000, 0.1 M potassium thiocyanate, 0.01% C12E8