9N3O
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 14
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.760, 137.200, 176.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.060 - 2.370 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.22740 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.516 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.060 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.070 | 0.779 |
| Number of reflections | 50480 | 4561 |
| <I/σ(I)> | 17.4 | 2.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.4 | 7.3 |
| CC(1/2) | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291 | 10% PEG 4000. 0.1 M sodium citrate (pH 6.0), 0.2 M magnesium chloride, 1 mM methylthioadenosine |
