8X7H
Crystal structure of the ternary complex of GID4-PROTAC(NEP162)-BRD4(BD1).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2023-07-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978530 |
Spacegroup name | P 1 |
Unit cell lengths | 56.855, 87.613, 88.440 |
Unit cell angles | 103.09, 90.90, 106.23 |
Refinement procedure
Resolution | 38.460 - 2.900 |
R-factor | 0.2388 |
Rwork | 0.235 |
R-free | 0.30100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.759 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.810 | 3.010 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.090 | 0.528 |
Number of reflections | 34488 | 3438 |
<I/σ(I)> | 9.97 | |
Completeness [%] | 97.1 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M potassium sodium tartrate tetrahydrate, 0.1M Bis-Tris pH 6.5, 10% (w/v) polyethylene glycol 10000 |