8SRX

Crystal structure of BAK-BAX heterodimer with 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	2016-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	158.166, 45.562, 43.714
Unit cell angles	90.00, 101.76, 90.00

Refinement procedure

Resolution	38.710 - 2.090
R-factor	0.2212
Rwork	0.216
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.108
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]	38.710	38.710	2.150
High resolution limit [Å]	2.090	9.370	2.090
Rmerge	0.198	0.037	1.557
Rmeas	0.216	0.041	1.701
Number of reflections	18140	225	1283
<I/σ(I)>	8.62
Completeness [%]	99.7
Redundancy	6.3
CC(1/2)	0.995	0.999	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	0.1 M Bis-tris chloride pH 5.5, 25% PEG 3350, 200 mM sodium acetate