5N51
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-Dibromothiophene-2-carboxylic acid
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 | 2016-09-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.995, 97.995, 80.275 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.998 - 2.118 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3we8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.774 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmeas | 0.073 | 0.634 |
| Number of reflections | 47470 | 7565 |
| <I/σ(I)> | 11.86 | 2.11 |
| Completeness [%] | 96.8 | 95.7 |
| Redundancy | 2.68 | 2.63 |
| CC(1/2) | 0.990 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | HEPES CaCl2 Glycerol DTT BIS-TRIS-propane PEG3350 Ethylene-glycol DMSO |
