7S4E
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 77.15 |
| Detector technology | PIXEL |
| Collection date | 2021-06-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.140, 116.570, 122.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.920 - 2.250 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hax |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.920 | 37.890 | 2.310 |
| High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
| Rmerge | 0.149 | 0.047 | 2.602 |
| Rmeas | 0.160 | 0.051 | 2.797 |
| Rpim | 0.058 | 0.019 | 1.017 |
| Total number of observations | 4298 | 29752 | |
| Number of reflections | 55100 | 697 | 4008 |
| <I/σ(I)> | 8 | 25.2 | 0.8 |
| Completeness [%] | 99.9 | 98.1 | 99.9 |
| Redundancy | 7.4 | 6.2 | 7.4 |
| CC(1/2) | 0.998 | 0.999 | 0.317 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.85 | 277.15 | 0.1 M HEPES, pH 7.85, 13% PEG 3350, 0.2 M sodium formate |
