9D5O
Crystal structure of the second bromodomain of human BRD2 in complex with 3IND
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.183, 99.871, 120.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.330 - 3.200 |
| R-factor | 0.2267 |
| Rwork | 0.225 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.687 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.260 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.152 | 0.670 |
| Rmeas | 0.186 | 0.812 |
| Rpim | 0.105 | 0.446 |
| Number of reflections | 11524 | 567 |
| <I/σ(I)> | 5.9 | 1.171 |
| Completeness [%] | 89.3 | 88.2 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.977 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2 M Ammonium tartrate dibasic pH 7.0, and 18% (w/v) PEG3350 |
