8WYP
High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2018-04-01 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.320, 47.320, 78.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.560 - 1.240 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.907 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.560 | 1.280 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.045 | 0.045 |
| Number of reflections | 34997 | 3392 |
| <I/σ(I)> | 45.6 | |
| Completeness [%] | 99.3 | |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 4.0 M sodium formate and 200 mM NDSB-201 |
