4GS6
Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2008-10-03 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 58.138, 133.867, 142.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.750 - 2.200 |
| R-factor | 0.2232 |
| Rwork | 0.222 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.750 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.094 | 0.484 |
| Number of reflections | 28551 | |
| <I/σ(I)> | 7.8 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.55-0.75 M sodium citrate, 0.2 M NaCl, 0.1 M Tris, and 5mM adenosine. Adenosine bound crystals are backsoaked with inhibitor, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
