7LZD
Crystal Structure of SETD2 bound to Compound 35
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.231, 76.381, 76.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.030 - 1.800 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jle |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.516 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.030 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.585 | |
| Rmeas | 0.132 | |
| Number of reflections | 27382 | 2824 |
| <I/σ(I)> | 27.7 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Potassium thiocyanate, 0.1 M HEPES pH 7.5, 24% w/v PEG 2000 MME |
