4TY1
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-24 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 95.081, 95.081, 80.842 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.040 - 2.700 |
R-factor | 0.1835 |
Rwork | 0.181 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.409 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.040 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.075 | 0.457 |
Number of reflections | 11535 | |
<I/σ(I)> | 9.6 | 2.28 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 1.0M LiCl, 0.1M TRIS pH8.0, 20% PEG6K |