3QF9
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a furan-thiazolidinedione 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 | 2009-03-22 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5 |
Spacegroup name | P 65 |
Unit cell lengths | 97.843, 97.843, 80.428 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.480 - 2.200 |
R-factor | 0.1878 |
Rwork | 0.186 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c3i |
RMSD bond length | 0.016 |
RMSD bond angle | 1.569 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.484 | 37.484 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.101 | 0.025 | 0.851 |
Total number of observations | 3968 | 17791 | |
Number of reflections | 22340 | ||
<I/σ(I)> | 13.3 | 24.7 | 0.9 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 5.6 | 5.4 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1 M BTP, 20 % PEG 3350 10 % ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 6.5 |