6G6N
Crystal structure of the computationally designed Tako8 protein in C2
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 | 2017-10-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.548, 132.297, 81.015 |
| Unit cell angles | 90.00, 125.26, 90.00 |
Refinement procedure
| Resolution | 46.774 - 2.001 |
| R-factor | 0.2459 |
| Rwork | 0.243 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.620 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.774 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.025 | 0.304 |
| Number of reflections | 54194 | |
| <I/σ(I)> | 18.5 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 7 |
| CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.1M citrate pH5.0, 3.4M NaCl |
