7UJ4
Inhibition of Human Menin by SNDX-5613
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 | 2021-03-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953644 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.536, 78.040, 92.859 |
Unit cell angles | 90.00, 101.36, 90.00 |
Refinement procedure
Resolution | 47.910 - 1.960 |
R-factor | 0.2206 |
Rwork | 0.218 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 6PKC |
RMSD bond length | 0.010 |
RMSD bond angle | 1.592 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.910 | 47.860 | 2.000 |
High resolution limit [Å] | 1.960 | 9.380 | 1.960 |
Rmerge | 0.140 | 0.038 | 1.576 |
Rmeas | 0.163 | 0.044 | 1.861 |
Rpim | 0.082 | 0.022 | 0.972 |
Total number of observations | 2486 | 12665 | |
Number of reflections | 69331 | 671 | 3798 |
<I/σ(I)> | 5.9 | 26 | 0.6 |
Completeness [%] | 98.6 | 98.4 | 84.3 |
Redundancy | 3.8 | 3.7 | 3.3 |
CC(1/2) | 0.995 | 0.998 | 0.243 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 294 | 0.1M HEPES pH 7.9, 24%(w/v) PEG 3350, 0.2M Magnesium nitrate, 20%(v/v) Ethylene glycol |