9NNT
BET BRD4-BD1 in complex with peptide 6.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.563, 41.628, 86.630 |
| Unit cell angles | 90.00, 92.60, 90.00 |
Refinement procedure
| Resolution | 48.330 - 1.590 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.202 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.330 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.142 | |
| Rpim | 0.069 | |
| Number of reflections | 53374 | 53372 |
| <I/σ(I)> | 8.6 | 0.9 |
| Completeness [%] | 99.1 | |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Tris 8.0 Polyethylene glycol 400 |
