7JXY
Structure of TTBK1 kinase domain in complex with Compound 18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2017-08-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 87.280, 87.280, 151.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.840 - 2.150 |
R-factor | 0.2024 |
Rwork | 0.200 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nfm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.150 |
Rmerge | 0.180 | |
Number of reflections | 36437 | 5120 |
<I/σ(I)> | 17.9 | |
Completeness [%] | 99.0 | |
Redundancy | 12.7 | |
CC(1/2) | 0.990 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M BisTRIS pH 6.0 and 35% PEG3350 |