7DCF
Crystal structure of EHMT2 SET domain in complex with compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-08 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.852, 72.730, 63.629 |
| Unit cell angles | 90.00, 92.66, 90.00 |
Refinement procedure
| Resolution | 20.590 - 1.800 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.567 |
| Data reduction software | CrysalisPro (39.33c) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.600 | 20.590 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.086 | 0.044 | 0.891 |
| Rmeas | 0.101 | 0.056 | 1.140 |
| Rpim | 0.052 | 0.034 | 0.702 |
| Total number of observations | 1005 | 6074 | |
| Number of reflections | 47106 | 360 | 2706 |
| <I/σ(I)> | 10.2 | 32.3 | 1 |
| Completeness [%] | 99.8 | 89.8 | 98.1 |
| Redundancy | 3.6 | 2.8 | 2.2 |
| CC(1/2) | 0.995 | 0.972 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M NaOAc, pH 7, 20% PEG 3350 |
