7ZNT
CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB
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 | 2018-07-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9750 |
| Spacegroup name | P 32 |
| Unit cell lengths | 82.640, 82.640, 169.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.940 - 3.000 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.25470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t35 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.338 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.940 | 65.940 | 3.180 |
| High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
| Rmerge | 0.231 | 0.097 | 0.966 |
| Rmeas | 0.244 | 0.103 | 1.018 |
| Rpim | 0.078 | 0.033 | 0.320 |
| Total number of observations | 258669 | 9291 | 43295 |
| Number of reflections | 25970 | 960 | 4234 |
| <I/σ(I)> | 8.5 | 15.3 | 4 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 10 | 9.7 | 10.2 |
| CC(1/2) | 0.992 | 0.991 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 10% (W/V) PEG 8000, 0.1 M TRIS-HCL (PH REMARK 280 7.5) AND 0.1 M MGCL2, |
