7ZHQ
Crystal structure of TTBK1 in complex with compound 10 (7-009)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.308, 39.543, 49.650 |
| Unit cell angles | 90.00, 103.23, 90.00 |
Refinement procedure
| Resolution | 48.330 - 1.800 |
| R-factor | 0.1757 |
| Rwork | 0.174 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7q8w |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.493 |
| 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] | 48.330 | 48.330 | 1.860 |
| High resolution limit [Å] | 1.800 | 6.970 | 1.800 |
| Rmerge | 0.093 | 0.034 | 0.858 |
| Rmeas | 0.101 | 0.037 | 0.934 |
| Rpim | 0.039 | 0.014 | 0.364 |
| Total number of observations | 203072 | 3709 | 18919 |
| Number of reflections | 30388 | 572 | 2961 |
| <I/σ(I)> | 13.4 | 44.1 | 2 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.7 | 6.5 | 6.4 |
| CC(1/2) | 0.999 | 0.999 | 0.829 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 14-23% PEG 3350, 0.2 M sodium acetate pH 7.0 and 0.1 M tris pH 7.5-9.0 |
