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 |