7BUC
Crystal structure of EHMT2 SET domain in complex with compound 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.500, 78.430, 72.990 |
| Unit cell angles | 90.00, 91.62, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| R-factor | 0.2118 |
| Rwork | 0.209 |
| R-free | 0.26180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vse |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.777 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.430 | 78.430 | 2.720 |
| High resolution limit [Å] | 2.600 | 9.010 | 2.600 |
| Rmerge | 0.116 | 0.045 | 0.678 |
| Rmeas | 0.141 | 0.056 | 0.816 |
| Rpim | 0.078 | 0.032 | 0.448 |
| Total number of observations | 60135 | 1460 | 7484 |
| Number of reflections | 19580 | 499 | 2367 |
| <I/σ(I)> | 6.8 | 18.7 | 1.7 |
| Completeness [%] | 99.3 | 99 | 99.5 |
| Redundancy | 3.1 | 2.9 | 3.2 |
| CC(1/2) | 0.992 | 0.991 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium acetate, 20% polyethyleneglycol 3350 |
