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 |