6UXN

Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine

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	2018-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	C 1 2 1
Unit cell lengths	157.762, 91.089, 96.395
Unit cell angles	90.00, 107.07, 90.00

Refinement procedure

Resolution	45.741 - 2.490
R-factor	0.2068
Rwork	0.205
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uxo
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.741	45.741	2.640
High resolution limit [Å]	2.490	7.380	2.490
Rmerge	0.164	0.035	1.805
Rmeas	0.177	0.038	1.949
Total number of observations	318495
Number of reflections	45501	1824	7023
<I/σ(I)>	9.31	36.38	1.14
Completeness [%]	99.1	99	95.7
Redundancy	7	6.918	6.911
CC(1/2)	0.998	0.999	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	ammonium sulphate