9G4U
Crystal structure of the human METTL3-METTL14 in complex with small molecule inhibitor Compound 31
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 | 2022-04-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.082, 64.082, 225.609 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.690 - 2.000 |
| R-factor | 0.18973 |
| Rwork | 0.187 |
| R-free | 0.23276 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.430 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.120 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.150 | |
| Number of reflections | 35507 | 2673 |
| <I/σ(I)> | 15.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20.1 | |
| CC(1/2) | 0.999 | 0.960 |
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, 20C, sitting drop, protein:precipitant solution ratio = 1:1 |
