5O11
Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 65 |
| Unit cell lengths | 96.052, 96.052, 80.297 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.030 - 2.400 |
| R-factor | 0.16714 |
| Rwork | 0.165 |
| R-free | 0.21159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.760 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.030 | |
| High resolution limit [Å] | 2.400 | |
| Rmerge | 0.564 | |
| Number of reflections | 16422 | |
| <I/σ(I)> | 11.9 | 3.4 |
| Completeness [%] | 99.2 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Tris, potassium sodium tartrate tetrahydrate |
