4TY1
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-24 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 |
| Unit cell lengths | 95.081, 95.081, 80.842 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.040 - 2.700 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.409 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.040 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.075 | 0.457 |
| Number of reflections | 11535 | |
| <I/σ(I)> | 9.6 | 2.28 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 2.6 | 2.6 |
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 |
