6TJH
Crystal structure of the computationally designed Cake9 protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 58.966, 106.801, 116.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.540 - 1.430 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.19340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Computationally designed model of Cake9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.195 |
| 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] | 48.540 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.088 | 0.973 |
| Rmeas | 0.093 | 1.023 |
| Rpim | 0.028 | 0.311 |
| Number of reflections | 136299 | 6699 |
| <I/σ(I)> | 14 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11 | 10.7 |
| CC(1/2) | 0.997 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 2.0M Sodium chloride, 2.0M Amonium sulfate |
