9YKR
Crystal structure of the GLP (EHMT1) SET domain in complex with SAM and TNG917
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.250, 81.720, 93.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.350 - 1.380 |
| R-factor | 0.1227 |
| Rwork | 0.121 |
| R-free | 0.15420 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.929 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.350 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.114 | 1.283 |
| Rpim | 0.035 | 0.378 |
| Number of reflections | 116436 | 5671 |
| <I/σ(I)> | 14.5 | 2.1 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 13.3 | 13.4 |
| CC(1/2) | 0.999 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 298 | 30% PEG3350, 200 mM lithium sulfate, 100 mM Bis-Tris, pH 5.5 |
