8XAM
Co-crystal structure of compound 7 in complex with MAT2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 18-ID |
| Synchrotron site | APS |
| Beamline | 18-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.1807 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 67.968, 94.043, 116.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.119 - 1.300 |
| Rwork | 0.121 |
| R-free | 0.14270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.999 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.020 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 169065 | 7991 |
| <I/σ(I)> | 25.9 | |
| Completeness [%] | 94.1 | |
| Redundancy | 6.9 | |
| CC(1/2) | 1.000 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.2 M LiCl, 0.1 M Tris pH 8.0, (18%-20%) PEG6000, 10% Ethylene Glycol |
