9KLA
Crystal Structure of the bromodomain of human BRD9 in complex with the inhibitor Y22024
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-01-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 58.220, 58.220, 87.384 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.710 - 1.780 |
| R-factor | 0.19542 |
| Rwork | 0.194 |
| R-free | 0.23154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.414 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.420 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.098 | 0.954 |
| Rmeas | 0.104 | 1.030 |
| Rpim | 0.036 | 0.377 |
| Total number of observations | 135948 | 6157 |
| Number of reflections | 16479 | 918 |
| <I/σ(I)> | 12.5 | 2 |
| Completeness [%] | 97.4 | |
| Redundancy | 8.2 | 6.7 |
| CC(1/2) | 0.998 | 0.669 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M DL-Malic acid pH 7.0, 20% w/v Polyethylene glycol 3,350 |
