7TO8
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.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 | 2019-06-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953732 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.842, 64.434, 53.473 |
| Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
| Resolution | 41.050 - 1.500 |
| R-factor | 0.1781 |
| Rwork | 0.177 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s91 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.833 |
| 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] | 41.050 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.044 | 0.373 |
| Rmeas | 0.052 | 0.438 |
| Rpim | 0.027 | 0.229 |
| Number of reflections | 43909 | 2114 |
| <I/σ(I)> | 20 | 4.6 |
| Completeness [%] | 99.3 | 98.1 |
| Redundancy | 6.8 | 7.1 |
| CC(1/2) | 0.999 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MMT, pH 6.0, 25% w/v PEG1500 |
