7MDN
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.300, 69.100, 80.192 |
| Unit cell angles | 75.52, 79.36, 60.47 |
Refinement procedure
| Resolution | 41.420 - 2.420 |
| R-factor | 0.218 |
| Rwork | 0.217 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6xcg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.810 | 48.810 | 2.510 |
| High resolution limit [Å] | 2.420 | 9.050 | 2.420 |
| Rmerge | 0.054 | 0.018 | 0.602 |
| Rmeas | 0.073 | 0.025 | 0.817 |
| Rpim | 0.048 | 0.017 | 0.548 |
| Total number of observations | 89353 | 1660 | 9696 |
| Number of reflections | 42507 | 806 | 4543 |
| <I/σ(I)> | 8.9 | 28.3 | 1.5 |
| Completeness [%] | 90.4 | 89.9 | 91.9 |
| Redundancy | 2.1 | 2.1 | 2.1 |
| CC(1/2) | 0.998 | 0.999 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% PEG3350, 0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5 |
