7AMH
SmBRD3(2), Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM-A-33, an iBET726 analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9119 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.201, 84.111, 126.736 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.368 - 1.863 |
| R-factor | 0.2191 |
| Rwork | 0.217 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7amc |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.368 | 1.895 |
| High resolution limit [Å] | 1.863 | 1.863 |
| Rmerge | 0.227 | 4.369 |
| Rmeas | 0.237 | 4.632 |
| Rpim | 0.069 | 1.506 |
| Number of reflections | 42925 | 2292 |
| <I/σ(I)> | 6.8 | 0.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 11.7 | |
| CC(1/2) | 0.995 | 0.470 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium dihydrogen Phosphate monohydrate, 20% w/v PEG 3350 |
