8OKU
Salt-Inducible Kinase 3 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 174.553, 174.553, 152.308 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 107.290 - 3.100 |
| R-factor | 0.2164 |
| Rwork | 0.214 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.323 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.290 | 3.224 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.218 | 2.887 |
| Number of reflections | 25156 | 2611 |
| <I/σ(I)> | 7.2 | 0.9 |
| Completeness [%] | 99.3 | 99.4 |
| Redundancy | 9.6 | |
| CC(1/2) | 0.998 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 282.15 | 0.1 M sodium formate pH 7.0, 12% w/v PEG 3350 |
