9Z4X
MENIN IN COMPLEX WITH JNJ-75276617 (Bleximenib)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 143.372, 70.486, 145.561 |
| Unit cell angles | 90.00, 91.68, 90.00 |
Refinement procedure
| Resolution | 145.500 - 2.950 |
| R-factor | 0.23659 |
| Rwork | 0.233 |
| R-free | 0.29695 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.097 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.500 | 3.200 |
| High resolution limit [Å] | 2.950 | 2.960 |
| Rmeas | 0.185 | 0.998 |
| Number of reflections | 40857 | 2044 |
| <I/σ(I)> | 6.9 | 1.4 |
| Completeness [%] | 89.9 | 51.2 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 100 mM Tris pH 6.75 , 5 M NaCl , 0.2 M MgCl2 |
