7UJ4
Inhibition of Human Menin by SNDX-5613
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953644 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.536, 78.040, 92.859 |
| Unit cell angles | 90.00, 101.36, 90.00 |
Refinement procedure
| Resolution | 47.910 - 1.960 |
| R-factor | 0.2206 |
| Rwork | 0.218 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 6PKC |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.592 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.910 | 47.860 | 2.000 |
| High resolution limit [Å] | 1.960 | 9.380 | 1.960 |
| Rmerge | 0.140 | 0.038 | 1.576 |
| Rmeas | 0.163 | 0.044 | 1.861 |
| Rpim | 0.082 | 0.022 | 0.972 |
| Total number of observations | 2486 | 12665 | |
| Number of reflections | 69331 | 671 | 3798 |
| <I/σ(I)> | 5.9 | 26 | 0.6 |
| Completeness [%] | 98.6 | 98.4 | 84.3 |
| Redundancy | 3.8 | 3.7 | 3.3 |
| CC(1/2) | 0.995 | 0.998 | 0.243 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 294 | 0.1M HEPES pH 7.9, 24%(w/v) PEG 3350, 0.2M Magnesium nitrate, 20%(v/v) Ethylene glycol |
