7T39
Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.138, 82.735, 65.836 |
| Unit cell angles | 90.00, 97.94, 90.00 |
Refinement procedure
| Resolution | 49.060 - 2.810 |
| R-factor | 0.2301 |
| Rwork | 0.228 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pdm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.192 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.162 | 0.077 | 1.008 |
| Rmeas | 0.168 | 0.080 | 1.052 |
| Rpim | 0.043 | 0.021 | 0.295 |
| Total number of observations | 241023 | ||
| Number of reflections | 16704 | 876 | 812 |
| <I/σ(I)> | 4 | ||
| Completeness [%] | 99.6 | 100 | 96.7 |
| Redundancy | 14.4 | 14.2 | 11.3 |
| CC(1/2) | 0.996 | 0.857 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 25%(w/v) PEG3350, 0.2M Ammonium Acetate, 0.1M Bis-Tris pH5.5 |
