6BHD
Crystal structure of SETDB1 with a modified H3 peptide
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 | 2013-08-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.258, 72.448, 52.505 |
| Unit cell angles | 90.00, 104.84, 90.00 |
Refinement procedure
| Resolution | 41.570 - 1.250 |
| R-factor | 0.1492 |
| Rwork | 0.147 |
| R-free | 0.18290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | similar nearly isomorphous crystal structure to be published |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.937 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.570 | 41.570 | 1.270 |
| High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
| Rmerge | 0.050 | 0.024 | 1.018 |
| Rmeas | 0.059 | 0.029 | 1.198 |
| Rpim | 0.030 | 0.016 | 0.625 |
| Total number of observations | 274409 | 1664 | 13158 |
| Number of reflections | 74273 | ||
| <I/σ(I)> | 15.1 | 48.4 | 1.3 |
| Completeness [%] | 99.8 | 96.5 | 99.8 |
| Redundancy | 3.7 | 3.5 | 3.6 |
| CC(1/2) | 0.999 | 0.998 | 0.487 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 25% PEG3350, 0.2 M sodium chloride, 0.1 M HEPES, 5% glycerol |
