24KJ
Crystal structure of second bromodomain (BD2) of human BRD2 in complex with 2PE and P6G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 300 |
| Detector technology | PIXEL |
| Collection date | 2024-10-01 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 31.999, 52.461, 71.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.510 - 1.800 |
| R-factor | 0.1642 |
| Rwork | 0.162 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vrm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.789 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.510 | 1.730 |
| High resolution limit [Å] | 1.600 | 1.700 |
| Rmerge | 0.509 | |
| Number of reflections | 16374 | 430 |
| <I/σ(I)> | 20.2 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.990 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | PEG MME 2000, 50mM Tris, 50mM NaCl |
