8UKY

Crystal structure of BAK in complex with inhibiting antibody 14G6

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	2021-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	71.554, 72.622, 75.282
Unit cell angles	103.01, 103.98, 112.15

Refinement procedure

Resolution	45.379 - 2.398
R-factor	0.2167
Rwork	0.215
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2YV6 & 5W5Z
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.379	45.379	2.460
High resolution limit [Å]	2.398	10.720	2.400
Rmerge	0.066	0.021	0.447
Rmeas	0.086	0.028	0.586
Number of reflections	48280	509	3563
<I/σ(I)>	9.55	33.46	1.76
Completeness [%]	96.3	91.1	94.9
Redundancy	2.205	2.32	2.258
CC(1/2)	0.997	0.998	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.09 M Bis-Tris chloride, pH 5.5, 22.5% PEG3350, 4% acetonitrile