7Q8W
Crystal structure of TTBK1 in complex with VNG1.35 (compound 23)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-05 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.00002 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 171.246, 39.910, 49.366 |
Unit cell angles | 90.00, 103.63, 90.00 |
Refinement procedure
Resolution | 47.970 - 2.020 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jxx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.378 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.970 | 47.970 | 2.090 |
High resolution limit [Å] | 2.020 | 7.820 | 2.020 |
Rmerge | 0.036 | 0.020 | 0.791 |
Rmeas | 0.043 | 0.022 | 0.954 |
Rpim | 0.017 | 0.009 | 0.376 |
Number of reflections | 21353 | 411 | 2092 |
<I/σ(I)> | 19.9 | 2 | |
Completeness [%] | 98.9 | 99.7 | 98.4 |
Redundancy | 6.3 | 6 | 6.4 |
CC(1/2) | 1.000 | 1.000 | 0.808 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 26% PEG 3350, 0.2M sodium acetate, 0.1M tris 7.5 |