8YMB
The crystal structure of SHD931 in complex with Brd4-BD2 and VCB
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.061, 84.388, 382.717 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.840 - 2.950 |
| R-factor | 0.2417 |
| Rwork | 0.240 |
| R-free | 0.27020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t35 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.624 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.840 | 3.055 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.160 | 1.085 |
| Number of reflections | 29155 | 2837 |
| <I/σ(I)> | 10.55 | 1.85 |
| Completeness [%] | 99.4 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.994 | 0.615 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 1500 mM Ammonium sulfate, 100 mM Tris base/ Hydrochloric acid, pH 8.5, 12% (v/v) Glycerol |
