6UXM

Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid

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	2015-11-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	46.700, 55.040, 56.500
Unit cell angles	116.13, 109.67, 97.02

Refinement procedure

Resolution	25.665 - 2.490
R-factor	0.1922
Rwork	0.187
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u2v
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.665	25.665	2.550
High resolution limit [Å]	2.490	11.130	2.490
Rmerge	0.091	0.042	1.905
Rmeas	0.096	0.045	2.026
Total number of observations	146213
Number of reflections	15495	147	1073
<I/σ(I)>	15.03	35.44	1.28
Completeness [%]	97.4	82.1	92
Redundancy	9.436	7.993	8.806
CC(1/2)	0.999	0.998	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	ammonium sulphate, PEG 10000, sodium acetate, bis-tris chloride