6RSR
TBK1 in complex with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-19 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 136.196, 136.196, 86.618 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.748 - 3.150 |
| R-factor | 0.2824 |
| Rwork | 0.281 |
| R-free | 0.30710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.423 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.750 | 3.350 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Number of reflections | 13358 | 895 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.7 | |
| Redundancy | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 100 mM HEPES pH 7.5, 5-8% PEG 8000 |
