8RQ9
Crystal structure of PROTAC CFT-1297 in complex with CRBN-midi and BRD4(BD2)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-24 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.6199 |
Spacegroup name | P 1 |
Unit cell lengths | 43.882, 52.638, 130.348 |
Unit cell angles | 96.44, 91.49, 99.22 |
Refinement procedure
Resolution | 43.270 - 2.910 |
R-factor | 0.2524 |
Rwork | 0.249 |
R-free | 0.29260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.895 |
Data reduction software | xia2 |
Data scaling software | xia2.multiplex |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.100 | 2.960 |
High resolution limit [Å] | 2.910 | 2.910 |
Number of reflections | 20285 | 275 |
<I/σ(I)> | 3.3 | |
Completeness [%] | 97.8 | 75.6 |
Redundancy | 6.6 | 6 |
CC(1/2) | 0.990 | 0.260 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% (w/v) PEG 3350, 0.2 M sodium citrate and 0.1 M Bis-Tris Propane pH 7.5 |