7MXA
PRMT5:MEP50 complexed with inhibitor PF-06855800
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2015-10-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 102.171, 138.016, 178.576 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.120 - 2.713 |
| R-factor | 0.2359 |
| Rwork | 0.232 |
| R-free | 0.30740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gqb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER (2.11.7) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.120 | 2.860 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Rmerge | 0.063 | 0.561 |
| Rmeas | 0.068 | |
| Rpim | 0.026 | 0.259 |
| Number of reflections | 34500 | 4976 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 1.0 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 286 | Crystallization of full-length human PRMT5/MEP50 complexed with cofactor site inhibitors was performed at 13 degrees Celsius by hanging-drop vapor-diffusion methods. 2.5 ul of a solution of 5:1 molar ratio of inhibitor compound to PRMT5/MEP50 complex (13 mg/mL) was mixed with 2.5 ul of reservoir solution containing 13-15% (w/v) PEG3350, 0.1M MES, pH 6.5-7.5, 0.25M NaCl, and 20% (v/v) ethylene glycol |
