8VWZ

Human Bcl-2 (G101V Mutant)/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	2020-03-21
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	45.260, 96.550, 125.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.590 - 2.330
R-factor	0.2281
Rwork	0.227
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.460
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]	76.454	2.366
High resolution limit [Å]	2.326	2.326
Rmerge	0.066	0.916
Rmeas	0.071	0.994
Rpim	0.028	0.382
Number of reflections	21623	1214
<I/σ(I)>	17	2.2
Completeness [%]	88.8	100
Redundancy	6.5	6.7
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	100 mM bis-tris (pH 5.5), 2 M ammonium sulfate