6TJD
Crystal structure of the computationally designed Cake4 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 | 2019-05-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.913, 65.758, 71.205 |
| Unit cell angles | 90.00, 91.05, 90.00 |
Refinement procedure
| Resolution | 35.600 - 2.100 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Cake8 model |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.443 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.310 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 | 0.461 |
| Rmeas | 0.071 | 0.497 |
| Rpim | 0.027 | 0.186 |
| Number of reflections | 18944 | 1561 |
| <I/σ(I)> | 1.1 | 3.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.8 | 7 |
| CC(1/2) | 0.953 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.18M Magnesium acetate, 0.09M Sodium, Cacodylate pH 6.5, 27% MPD, 15% Glycerol |
