6UXP

Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol

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	2018-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	50.161, 51.567, 61.472
Unit cell angles	83.86, 86.13, 87.94

Refinement procedure

Resolution	37.355 - 2.492
R-factor	0.1951
Rwork	0.190
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uxq
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.355	37.355	2.640
High resolution limit [Å]	2.490	7.370	2.490
Rmerge	0.096	0.037	0.786
Rmeas	0.113	0.044	0.924
Total number of observations	74136
Number of reflections	20718	811	3292
<I/σ(I)>	9.14	29.89	1.45
Completeness [%]	97.1	98.4	94.2
Redundancy	3.578	3.65	3.556
CC(1/2)	0.997	0.998	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	magnesium chloride, PEG 4000, tris-chloride