8SPZ

Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl 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	2018-09-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	52.815, 88.065, 73.298
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.290 - 2.400
R-factor	0.2758
Rwork	0.269
R-free	0.34050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.050	0.011	1.423
Rmeas	0.057	0.013	1.608
Number of reflections	13894	189	992
<I/σ(I)>	16.42
Completeness [%]	99.8
Redundancy	4.4
CC(1/2)	1.000	1.000	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.09 M DL maleate-MES-Tris pH 7, 2.25 M ammonium sulfate, 0.1 M trisodium citrate