9C94
Crystal structure of menin in complex with inhibitor compound 20
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 | 2021-10-06 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.758, 87.476, 194.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.490 - 1.980 |
| R-factor | 0.1797 |
| Rwork | 0.178 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.764 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.310 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.132 | 0.837 |
| Rmeas | 0.145 | 0.927 |
| Rpim | 0.084 | 0.394 |
| Number of reflections | 37789 | 9907 |
| <I/σ(I)> | 8.9 | 2.4 |
| Completeness [%] | 98.9 | 100 |
| Redundancy | 5.7 | 5.5 |
| CC(1/2) | 0.995 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 3350, 0.1M HEPES pH6.9, 0.2M Na Thiocyanate, 4% Isopropanol, 1% Tacsimate |
