3CY3
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V
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 | 2007-09-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 65 |
| Unit cell lengths | 98.239, 98.239, 80.723 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.189 - 2.150 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c3i |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.464 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.189 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.103 | 0.747 |
| Number of reflections | 24190 | |
| <I/σ(I)> | 7.2 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 9 % PEG 10000, 7.2 % Ethylene glycol, 0.09 M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
