8VXM

Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	48.800, 88.740, 134.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.450 - 2.100
R-factor	0.2198
Rwork	0.218
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.405
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.455	2.070
High resolution limit [Å]	2.035	2.035
Rmerge	0.054	0.844
Rmeas	0.059	0.930
Rpim	0.023	0.382
Number of reflections	35939	1390
<I/σ(I)>	16.1	1.8
Completeness [%]	93.5
Redundancy	6.6	5.6
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Tris (pH 8.5), 25% PEG 3350, 200 mM lithium sulfate