5TEG
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.310, 45.059, 52.649 |
| Unit cell angles | 114.73, 90.77, 90.81 |
Refinement procedure
| Resolution | 19.030 - 1.300 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zkk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT (2.11.6) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.811 | 47.811 | 1.380 |
| High resolution limit [Å] | 1.300 | 4.130 | 1.300 |
| Rmerge | 0.065 | 0.304 | |
| Number of reflections | 83159 | ||
| <I/σ(I)> | 8.2 | 8.6 | 2.4 |
| Completeness [%] | 92.4 | 97 | 89.9 |
| Redundancy | 1.8 | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 290 | 33% (v/v) Pentaerythritol ethoxylate, 50 mM ammonium sulfate, 50 mM Bis-Tris pH 6.5 |
