4HCT
Crystal structure of ITK in complex with compound 52
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.410, 67.850, 49.280 |
| Unit cell angles | 90.00, 111.23, 90.00 |
Refinement procedure
| Resolution | 21.670 - 1.480 |
| R-factor | 0.1715 |
| Rwork | 0.171 |
| R-free | 0.18370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data scaling software | autoPROC |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.800 | 1.490 |
| High resolution limit [Å] | 1.480 | 1.485 |
| Number of reflections | 40285 | |
| Completeness [%] | 95.9 | 68.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 0.1M Hepes, 0.1M Mg acetate, 12% PEG 3350 , pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
