2OI4
Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 128 |
Detector technology | IMAGE PLATE |
Collection date | 2006-02-27 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 98.104, 98.104, 80.672 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.540 - 2.200 |
R-factor | 0.19199 |
Rwork | 0.189 |
R-free | 0.24433 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.893 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.720 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.104 | 0.450 |
Number of reflections | 20939 | |
<I/σ(I)> | 6.2 | 1.7 |
Completeness [%] | 93.1 | 96.4 |
Redundancy | 2.73 | 2.59 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 100mM BIS-TRIS PROPANE, 0.2M MgCl2, 20% PEG 3350, 10% ETHILENE GLYCOL, 0.3% DMSO, SITTING DROP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |