4QD6
ITK kinase domain in complex with inhibitor compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.060, 94.320, 156.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.760 - 2.450 |
| R-factor | 0.21162 |
| Rwork | 0.209 |
| R-free | 0.26689 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.846 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 80.770 |
| High resolution limit [Å] | 2.450 |
| Number of reflections | 22304 |
| Completeness [%] | 98.8 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.2M Sodium Nitrate, 0.1M Bis Tris propane, 20% PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
