7KID
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 103.678, 139.177, 178.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.790 - 2.500 |
| R-factor | 0.26 |
| Rwork | 0.259 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6uxx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.680 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 44303 | 4001 |
| <I/σ(I)> | 21.2 | 1.8 |
| Completeness [%] | 98.5 | 89.9 |
| Redundancy | 6.4 | |
| CC(1/2) | 0.993 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M sodium citrate pH 6.0, 0.2 M sodium acetate, 10-12% PEG 4000 |
