6RST
TBK1 in complex with inhibitor compound 24
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 | 2015-12-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 136.354, 136.354, 87.195 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.630 - 3.290 |
R-factor | 0.2491 |
Rwork | 0.246 |
R-free | 0.30290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.921 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.490 |
High resolution limit [Å] | 3.290 | 3.290 |
Number of reflections | 14377 | 2296 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 99.5 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 100 mM HEPES pH 7.5 and 5-8% PEG 8000 |