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 |