7Q8V
Crystal structure of TTBK1 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 | 2021-07-05 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.00002 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.915, 39.519, 49.037 |
Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
Resolution | 47.770 - 2.130 |
R-factor | 0.1903 |
Rwork | 0.187 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jxx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.298 |
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] | 47.770 | 47.770 | 2.200 |
High resolution limit [Å] | 2.130 | 8.250 | 2.130 |
Rmerge | 0.070 | 0.038 | 0.903 |
Rmeas | 0.081 | 0.042 | 1.054 |
Rpim | 0.030 | 0.016 | 0.398 |
Number of reflections | 17584 | 341 | 1721 |
<I/σ(I)> | 13.4 | 2 | |
Completeness [%] | 97.1 | 98.8 | 97.2 |
Redundancy | 7 | 6.6 | 6.9 |
CC(1/2) | 0.998 | 0.998 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 29% PEG 3350, 0.2M sodium acetate, 0.1M tris 8.5 |