8SPE

Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31

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	2015-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 31
Unit cell lengths	141.355, 141.355, 110.191
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.430 - 2.300
R-factor	0.2294
Rwork	0.229
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.676
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.270	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.111	1.788
Rmeas	0.122	1.973
Rpim	0.051	0.829
Total number of observations		28318
Number of reflections	108680	5174
<I/σ(I)>	10.9	1.1
Completeness [%]	99.8
Redundancy	5.7	5.5
CC(1/2)	0.998	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate