4X61
Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 102.317, 138.167, 178.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.850 |
| R-factor | 0.2083 |
| Rwork | 0.205 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 6.140 | 2.850 |
| Rmerge | 0.117 | 0.059 | 0.576 |
| Total number of observations | 170361 | ||
| Number of reflections | 28661 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 96.5 | 98.7 | 78 |
| Redundancy | 5.9 | 5.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 0.2 M Sodium acetate, 0.1 M Sodium citrate pH 6.1, 10% w/v PEG 4000 |
