7Q8Y
Crystal structure of TTBK2 in complex with VNG2.73 (compound 42)
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 | 2021-04-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.861, 114.745, 120.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.360 - 1.600 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.20520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6u0k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.610 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.360 | 46.360 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.070 | 0.036 | 0.892 |
Rmeas | 0.077 | 0.038 | 0.988 |
Rpim | 0.024 | 0.012 | 0.298 |
Number of reflections | 102766 | 1306 | 7537 |
<I/σ(I)> | 18.1 | 2.5 | |
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 10.4 | 9.6 | 10.8 |
CC(1/2) | 0.999 | 0.999 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 1.6M Na/K phosphate pH 7, 5% Glycerol, 0.1M tris 7.5 |