4WSY
Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole 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 | 2013-12-20 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 97.291, 97.291, 80.489 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.610 - 2.300 |
R-factor | 0.18354 |
Rwork | 0.182 |
R-free | 0.22448 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.211 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.091 | 0.758 |
Number of reflections | 19337 | |
<I/σ(I)> | 9.7 | 2.98 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 7.5 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 1.0M LiCl, 0.1M TRIS, 20% PEG6K |