9C92
Crystal structure of menin in complex with inhibitor compound 15
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-18 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.831, 87.764, 195.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.430 - 1.900 |
| R-factor | 0.1977 |
| Rwork | 0.197 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.853 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.430 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.134 | 0.624 |
| Rmeas | 0.148 | 0.710 |
| Rpim | 0.061 | 0.332 |
| Number of reflections | 77476 | 18388 |
| <I/σ(I)> | 6.8 | 2 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 5.3 | 4.1 |
| CC(1/2) | 0.994 | 0.338 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 0.1M HEPES pH6.9, 0.2M Na Thiocyanate, 1% Tacsimate, 4% Isopropanol |
