8IG0
Crystal structure of menin in complex with DS-1594b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-08 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 141.576, 70.151, 144.426 |
| Unit cell angles | 90.00, 91.47, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| R-factor | 0.2147 |
| Rwork | 0.212 |
| R-free | 0.26610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.177 |
| Data reduction software | XDS (March 1, 2015) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.820 | 49.820 | 2.650 |
| High resolution limit [Å] | 2.600 | 14.000 | 2.600 |
| Rmerge | 0.083 | 0.028 | 1.273 |
| Rmeas | 0.099 | 0.035 | 1.526 |
| Rpim | 0.053 | 0.020 | 0.832 |
| Total number of observations | 289542 | 1769 | 13705 |
| Number of reflections | 87588 | 607 | 4371 |
| <I/σ(I)> | 3.6 | 18.7 | 0.2 |
| Completeness [%] | 99.8 | 97.4 | 98.8 |
| Redundancy | 3.3 | 2.9 | 3.1 |
| CC(1/2) | 0.997 | 0.991 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 283 | 0.1 M Na Cacodylate HCl, pH 6.4/ 1.5 M NaOAc/ 20 mM BaCl2. Complex crystal was prepared with soaking method. |
