7DMY
The crystal structure of Cpd7 in complex with BPTF bromodomain
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 | 2020-11-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97875 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.011, 44.931, 40.838 |
| Unit cell angles | 90.00, 95.35, 90.00 |
Refinement procedure
| Resolution | 37.342 - 2.000 |
| R-factor | 0.2545 |
| Rwork | 0.253 |
| R-free | 0.28810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uv2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.449 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 9269 | 9269 |
| <I/σ(I)> | 9.16 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.967 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M Ammonium acetate, 20% PEG 3350, pH 7.1 |
