8SVK

Crystal structure of Bax D71N core domain BH3-groove dimer

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	2023-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953651
Spacegroup name	P 31 2 1
Unit cell lengths	67.393, 67.393, 140.822
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.930 - 2.250
R-factor	0.2559
Rwork	0.254
R-free	0.28710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.930	44.930	2.390
High resolution limit [Å]	2.250	6.690	2.250
Rmerge	0.155	0.030	2.707
Rmeas	0.164	0.032	2.848
Number of reflections	18223	778	2867
<I/σ(I)>	11.43
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.999	1.000	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium citrate, 20% PEG 3350