8E90
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 | 2021-04-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953644 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.417, 86.134, 202.027 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 1.850 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.20980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pkc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.598 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.390 | 1.898 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.121 | 1.430 |
| Rmeas | 0.163 | 1.670 |
| Rpim | 0.116 | 1.130 |
| Number of reflections | 87900 | 6121 |
| <I/σ(I)> | 6.2 | 0.8 |
| Completeness [%] | 99.9 | 99.97 |
| Redundancy | 3.8 | 3.4 |
| CC(1/2) | 0.994 | 0.270 |
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 |
