8CV7
Peptide 2.2E in complex with BRD2-BD2
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 | 2019-10-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953735 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.948, 52.420, 55.993 |
| Unit cell angles | 90.00, 96.67, 90.00 |
Refinement procedure
| Resolution | 32.120 - 1.600 |
| R-factor | 0.1756 |
| Rwork | 0.174 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oni |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.640 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | 0.427 |
| Rmeas | 0.064 | 0.503 |
| Rpim | 0.033 | 0.264 |
| Number of reflections | 39575 | 1893 |
| <I/σ(I)> | 18.3 | 4.2 |
| Completeness [%] | 98.3 | 97 |
| Redundancy | 7 | 7 |
| CC(1/2) | 0.999 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M sodium fluoride, 0.1 M Bis-Tris propane, pH 8.5, 20% w/v PEG3350 |
