6TJF
Crystal structure of the computationally designed Cake6 protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.812, 79.670, 79.670 |
| Unit cell angles | 75.25, 66.14, 66.14 |
Refinement procedure
| Resolution | 57.050 - 2.400 |
| R-factor | 0.1903 |
| Rwork | 0.187 |
| R-free | 0.25090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Cake9 crystal structure |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.948 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.050 | 2.470 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.053 | 0.386 |
| Rmeas | 0.062 | 0.453 |
| Rpim | 0.033 | 0.024 |
| Number of reflections | 54166 | 4459 |
| <I/σ(I)> | 8.4 | 2.3 |
| Completeness [%] | 98.5 | 97.7 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.998 | 0.907 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2M Lithium sulfate, 0.1M Tris pH 8.5, 25% PEG5000MME |
