3JPV
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.821, 97.821, 80.743 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.577 - 2.350 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c3i |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.549 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.2) |
| Phasing software | PHASER (2.1.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.577 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.127 | 0.763 |
| Number of reflections | 18386 | |
| <I/σ(I)> | 10.6 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M NaNO3 0.1M BTProp pH 8.5 20% PEG3350 10% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
