7F5D
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.651, 27.139, 37.907 |
| Unit cell angles | 90.00, 96.65, 90.00 |
Refinement procedure
| Resolution | 37.652 - 1.572 |
| R-factor | 0.19558491155 |
| Rwork | 0.194 |
| R-free | 0.22823 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qzt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.890 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.102 | 0.379 |
| Rmeas | 0.108 | 0.418 |
| Rpim | 0.042 | 0.179 |
| Number of reflections | 15992 | 1527 |
| <I/σ(I)> | 16.58 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.989 | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% PEG 3350 |
