9NN5
BET BRD4-BD1 in complex with peptide 9.2
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 | 2022-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.722, 42.067, 29.703 |
| Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
| Resolution | 39.820 - 1.470 |
| R-factor | 0.1698 |
| Rwork | 0.168 |
| R-free | 0.19270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.093 |
| 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] | 39.820 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.044 | 0.615 |
| Number of reflections | 25963 | 25961 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Ammonium chloride, 20% w/v Polyethylene glycol 3,350 |
