6UXX
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
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 | 2017-05-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 103.071, 138.775, 178.557 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.580 - 2.690 |
| R-factor | 0.26 |
| Rwork | 0.259 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gqb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.670 |
| 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 | 2.790 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.070 | 0.650 |
| Number of reflections | 35543 | 3363 |
| <I/σ(I)> | 23.9 | |
| Completeness [%] | 99.0 | |
| Redundancy | 6.4 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1 M sodium citrate pH 6.0, 0.2 M sodium acetate, 10-12% PEG 4000 |
