8CV6
Peptide 4.2B in complex with BRD4.2
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 | 2019-11-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953736 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.442, 59.636, 36.269 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 35.650 - 1.700 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uvv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.037 |
| 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] | 35.650 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.073 | 0.566 |
| Rmeas | 0.085 | 0.670 |
| Rpim | 0.044 | 0.355 |
| Number of reflections | 13420 | 4431 |
| <I/σ(I)> | 15.9 | 3 |
| Completeness [%] | 97.8 | 93 |
| Redundancy | 7.1 | 6.6 |
| CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES, pH 7.5, 30% w/v PEG1000 |
