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 |