8P9B
Crystal Structure of Mnk2-D228G in complex with Tinodasertib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 105.910, 105.910, 71.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.005 - 2.590 |
| Rwork | 0.208 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.358 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.390 | 2.660 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmeas | 0.050 | 1.617 |
| Number of reflections | 14740 | 1099 |
| <I/σ(I)> | 24.4 | 1.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.6 | 8.1 |
| CC(1/2) | 1.000 | 0.558 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 292 | 24% (w/v) polyacrylic acid 5100, 2% (v/v) 2-Methyl-2,4-pentanediol, 100mM HEPES, pH 8.0 |
