9HHW
Crystal structure of TTBK1 with a covalent compound GCL95
This is a non-PDB format compatible entry.
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 | 2022-02-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999995 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 49.641, 39.954, 166.667 |
| Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
| Resolution | 48.260 - 3.000 |
| R-factor | 0.23429 |
| Rwork | 0.232 |
| R-free | 0.28592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.818 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.260 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 6759 | 1077 |
| <I/σ(I)> | 6 | 1.7 |
| Completeness [%] | 99.8 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.977 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 17% PEG 3350, 0.2 M sodium acetate pH 7.0 and 0.1 M tris pH 7.5-9.0 |
