6BHI
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 | 2013-12-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.849, 71.718, 52.690 |
| Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
| Resolution | 41.570 - 1.400 |
| R-factor | 0.1496 |
| Rwork | 0.148 |
| R-free | 0.18720 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | earlier version of model from PDB entry 6BHD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.820 |
| 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] | 41.570 | 41.570 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
| Rmerge | 0.065 | 0.031 | 0.942 |
| Rmeas | 0.076 | 0.037 | 1.104 |
| Rpim | 0.040 | 0.020 | 0.570 |
| Total number of observations | 193783 | 1185 | 9985 |
| Number of reflections | 53403 | ||
| <I/σ(I)> | 12.5 | 35.7 | 1.5 |
| Completeness [%] | 99.7 | 96.4 | 100 |
| Redundancy | 3.6 | 3.4 | 3.7 |
| CC(1/2) | 0.998 | 0.998 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 25% PEG3350, 0.2 M lithium sulfate, 0.1 M HEPES |
