7LP0
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03321 |
| Spacegroup name | P 1 |
| Unit cell lengths | 27.210, 38.570, 57.630 |
| Unit cell angles | 97.14, 103.58, 94.25 |
Refinement procedure
| Resolution | 38.050 - 1.660 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 7K6R |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.050 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.091 | 0.540 |
| Rmeas | 0.109 | 0.652 |
| Number of reflections | 25204 | 1843 |
| <I/σ(I)> | 10.6 | 3 |
| Completeness [%] | 94.7 | 91.3 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.990 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2M Lithium sulfate monohydrate, 0.1M Bis-Tris pH 6.5 and 25% PEG 3,350 |
