6YTM
Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.050, 50.530, 130.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.120 - 1.560 |
| R-factor | 0.1743 |
| Rwork | 0.173 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o3d |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.888 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.240 | 65.240 | 1.640 |
| High resolution limit [Å] | 1.560 | 4.920 | 1.560 |
| Rmerge | 0.185 | 0.076 | 1.489 |
| Rmeas | 0.193 | 0.080 | 1.563 |
| Rpim | 0.054 | 0.024 | 0.463 |
| Total number of observations | 405808 | 12563 | 51526 |
| Number of reflections | 32946 | 1209 | 4662 |
| <I/σ(I)> | 13.9 | 29.7 | 3.1 |
| Completeness [%] | 99.0 | 100 | 98 |
| Redundancy | 12.3 | 10.4 | 11.1 |
| CC(1/2) | 0.998 | 0.997 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.75 | 293 | 0.1 M Tris pH 8.75, 55% pentaerythiol propoxylate (5/4 PO/OH) |
