9KM1
Crystal Structure of the bromodomain of human BRD9 in complex with the inhibitor Y22077
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-04-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 29.820, 68.290, 145.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.820 - 2.680 |
| R-factor | 0.25249 |
| Rwork | 0.250 |
| R-free | 0.29959 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.454 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.820 | 2.810 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.082 | 0.638 |
| Rmeas | 0.087 | 0.682 |
| Rpim | 0.030 | 0.236 |
| Total number of observations | 74423 | 9564 |
| Number of reflections | 8990 | 1147 |
| <I/σ(I)> | 15.6 | 3.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 8.3 | 8.3 |
| CC(1/2) | 0.998 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350 |
