6BHE
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 | 2013-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.051, 71.372, 52.055 |
| Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
| Resolution | 35.690 - 1.350 |
| R-factor | 0.1364 |
| Rwork | 0.135 |
| R-free | 0.17250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dlm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.755 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.200 | 41.200 | 1.350 |
| High resolution limit [Å] | 1.330 | 7.280 | 1.330 |
| Rmerge | 0.049 | 0.021 | 1.153 |
| Rmeas | 0.057 | 0.025 | 1.354 |
| Rpim | 0.030 | 0.014 | 0.703 |
| Total number of observations | 221167 | 1175 | 10742 |
| Number of reflections | 60118 | ||
| <I/σ(I)> | 15.3 | 54.1 | 1.2 |
| Completeness [%] | 99.8 | 91.5 | 99.9 |
| Redundancy | 3.7 | 3.3 | 3.6 |
| CC(1/2) | 0.999 | 0.999 | 0.495 |
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 |
