7TO9
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE)
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 | 2020-11-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953732 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.582, 64.366, 52.312 |
| Unit cell angles | 90.00, 94.94, 90.00 |
Refinement procedure
| Resolution | 40.500 - 1.600 |
| R-factor | 0.1999 |
| Rwork | 0.199 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s91 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.866 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.500 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.048 | 0.673 |
| Rmeas | 0.062 | 0.878 |
| Rpim | 0.039 | 0.410 |
| Number of reflections | 35429 | 1763 |
| <I/σ(I)> | 12 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.999 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES, pH 7.5, 0.2 M sodium chloride, 10% v/v 2-propanol |
