8SPF

Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC

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 21 21 21
Unit cell lengths	61.134, 83.884, 100.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.320 - 2.200
R-factor	0.2566
Rwork	0.253
R-free	0.30550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.378
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_3965: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.200	6.530	2.200
Rmerge	0.051	0.022	2.016
Rmeas	0.055	0.025	2.279
Number of reflections	26715	1145	4056
<I/σ(I)>	15.83
Completeness [%]	99.1
Redundancy	6.4
CC(1/2)	1.000	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Hepes pH 7.5, 1.4 M trisodium citrate