5T5G
human SETD8 in complex with MS2177
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 | 2014-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.957, 88.957, 34.989 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.480 - 2.100 |
| R-factor | 0.2061 |
| Rwork | 0.205 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ij8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.485 |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.480 | 44.480 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.081 | 0.041 | 0.985 |
| Rmeas | 0.085 | 0.044 | 1.033 |
| Rpim | 0.026 | 0.016 | 0.309 |
| Total number of observations | 102165 | 1046 | 8619 |
| Number of reflections | 9530 | ||
| <I/σ(I)> | 19.8 | 45 | 3.1 |
| Completeness [%] | 99.9 | 95.2 | 100 |
| Redundancy | 10.7 | 7.7 | 11.1 |
| CC(1/2) | 0.999 | 0.997 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 30% PEG-2000-MME, 0.1 M postassium thiocyanate, 0.1 M Bis-Tris |
