9WNI
Wild-type Menin complexed with KO-539
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 | 2021-07-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953651 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.089, 78.852, 93.340 |
| Unit cell angles | 90.00, 101.54, 90.00 |
Refinement procedure
| Resolution | 48.340 - 2.400 |
| R-factor | 0.21123 |
| Rwork | 0.208 |
| R-free | 0.27471 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7uj4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.443 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 2.430 |
| High resolution limit [Å] | 2.348 | 2.350 |
| Number of reflections | 41354 | 3685 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.985 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 24%(w/v) PEG3350, 0.2M MAGNESIUM NITRATE, 0.1M HEPES PH=7.8, 20%(v/v) ETHYLENE GLYCOL, PH7.8 |
