9CUX
Crystal Structure of SETDB1 Tudor domain in complex with UNC100016
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.18061 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.834, 60.663, 70.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.890 - 1.270 |
| R-factor | 0.16004 |
| Rwork | 0.159 |
| R-free | 0.18119 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.269 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.290 |
| High resolution limit [Å] | 1.270 | 3.450 | 1.270 |
| Rmerge | 0.052 | 0.029 | 0.916 |
| Rmeas | 0.054 | 0.031 | 0.974 |
| Rpim | 0.016 | 0.009 | 0.325 |
| Total number of observations | 702625 | ||
| Number of reflections | 60159 | 3255 | 2968 |
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 11.7 | 11.7 | 8.5 |
| CC(1/2) | 1.000 | 1.000 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% P3350, 0.1M NH4SO4, 0.1M Bis-Tris pH 6.5 |
