5TH7
Complex of SETD8 with MS453
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794535 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.150, 31.640, 114.890 |
| Unit cell angles | 90.00, 105.23, 90.00 |
Refinement procedure
| Resolution | 37.510 - 1.950 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unpublished crystallographic model of human SETD8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.510 | 37.510 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.084 | 0.025 | 0.842 |
| Rmeas | 0.099 | 0.031 | 1.046 |
| Rpim | 0.053 | 0.018 | 0.611 |
| Total number of observations | 73611 | 773 | 3573 |
| Number of reflections | 21342 | ||
| <I/σ(I)> | 11.2 | 33.5 | 1.3 |
| Completeness [%] | 99.0 | 98.8 | 94.5 |
| Redundancy | 3.4 | 3.1 | 2.6 |
| CC(1/2) | 0.997 | 0.997 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 291 | 20% PEG-3350, 0.2 M ammonium fluoride, 0.1 M sodium cacodylate |
