8FY0

E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	108
Detector technology	CCD
Collection date	2020-09-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	47.620, 118.877, 170.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.170 - 2.940
R-factor	0.1993
Rwork	0.195
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dc6
RMSD bond length	0.004
RMSD bond angle	0.640
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	170.000	3.120
High resolution limit [Å]	2.940	2.940
Number of reflections	21196	3282
<I/σ(I)>	7.6
Completeness [%]	99.3
Redundancy	5.5
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Sodium Cacodylate pH 5.5, 0.2 M Sodium chloride, 6-8% PEG 8000 and 4% tert-Butanediol