8CZG

Human BAK in complex with the dF3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	48.290, 65.260, 111.570
Unit cell angles	90.00, 102.12, 90.00

Refinement procedure

Resolution	41.850 - 1.990
R-factor	0.2299
Rwork	0.228
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB:5VX0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.850	41.850	2.040
High resolution limit [Å]	1.990	8.890	1.990
Rmerge	0.149	0.044	0.715
Rmeas	0.170	0.049	0.825
Total number of observations	160024
Number of reflections	43206	471	2844
<I/σ(I)>	6	16.23	1.77
Completeness [%]	92.3	82.3	82.8
Redundancy	3.704	4.248	3.327
CC(1/2)	0.994	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 3350 (20% w/v), 0.2 M calcium acetate