5R69
XChem group deposition -- Crystal Structure of human YEATS4 in complex with XS038644e
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 | 2018-11-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.600, 47.440, 58.450 |
| Unit cell angles | 67.58, 68.56, 69.02 |
Refinement procedure
| Resolution | 42.450 - 1.830 |
| R-factor | 0.2296 |
| Rwork | 0.229 |
| R-free | 0.24760 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5vna |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.599 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.410 | 42.410 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.180 | 1.830 |
| Rmerge | 0.138 | 0.059 | 0.781 |
| Rmeas | 0.195 | 0.083 | 1.104 |
| Rpim | 0.138 | 0.059 | 0.781 |
| Total number of observations | 62153 | 787 | 4693 |
| Number of reflections | 34543 | ||
| <I/σ(I)> | 7.4 | 23.8 | 1.1 |
| Completeness [%] | 96.1 | 98 | 95 |
| Redundancy | 1.8 | 2 | 1.8 |
| CC(1/2) | 0.956 | 0.975 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M tris pH 7.5, 0.15M lithium sulfate, 40% PEG400 |
