9Q8A
Crystal structure of the human METTL3-METTL14 in complex with small molecule inhibitor Compound 3
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 | 2023-04-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.042, 64.042, 224.985 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.790 - 1.950 |
| R-factor | 0.19615 |
| Rwork | 0.193 |
| R-free | 0.24469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.456 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.790 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 38133 | 2937 |
| <I/σ(I)> | 19 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 1.000 | 0.580 |
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 |
