6P7I
Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-05-14 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.091, 135.133, 83.206 |
| Unit cell angles | 90.00, 98.01, 90.00 |
Refinement procedure
| Resolution | 32.500 - 2.000 |
| R-factor | 0.1851 |
| Rwork | 0.184 |
| R-free | 0.22170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5egs |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.422 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.093 | 0.043 | 0.927 |
| Rmeas | 0.101 | 0.046 | 1.016 |
| Rpim | 0.038 | 0.017 | 0.409 |
| Total number of observations | 796631 | ||
| Number of reflections | 114589 | 5841 | 5600 |
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 99.9 | 99.5 | 98 |
| Redundancy | 7 | 7.2 | 5.9 |
| CC(1/2) | 0.999 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Sodium Malonate pH 7.0, 12% (w/v) PEG 3350 |
