9Q89
Crystal structure of the human METTL3-METTL14 in complex with small molecule inhibitor Compound 13
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.533, 64.533, 226.609 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.930 - 1.950 |
| R-factor | 0.19234 |
| Rwork | 0.190 |
| R-free | 0.23788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.438 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.320 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | |
| Number of reflections | 38940 | 2958 |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 0.999 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M calcium chloride, 0.1 M Tris:HCl pH 8.0, 18% (w/v) PEG 4000, sitting drop, protein:precipitant solution ratio = 1:1 |
