5KZI
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.977408 |
| Spacegroup name | P 65 |
| Unit cell lengths | 95.998, 95.998, 81.251 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.20469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.055 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (11.2.08) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.121 | 0.535 |
| Number of reflections | 24982 | |
| <I/σ(I)> | 7.6 | 4.75 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.5 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 1.0M LiCl, 0.1M TRIS pH8.0, 20% PEG6K |
