3MA3
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran 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 | 2008-03-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.707, 97.707, 80.581 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.370 - 2.300 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c3i |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.641 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.370 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.079 | 0.446 |
| Number of reflections | 19082 | |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 97.7 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 20% Isopropanol 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
