7AWY
Crystal structure of the computationally designed Scone-R 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 | 2018-07-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.077, 79.834, 47.426 |
| Unit cell angles | 90.00, 100.98, 90.00 |
Refinement procedure
| Resolution | 46.560 - 1.500 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tjg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.245 |
| 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] | 46.560 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.037 | 0.536 |
| Rmeas | 0.042 | 0.606 |
| Rpim | 0.019 | 0.278 |
| Number of reflections | 46828 | 2343 |
| <I/σ(I)> | 16.8 | 2.4 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 4.5 | 4.6 |
| CC(1/2) | 0.999 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M magnesium acetate 0.1 M sodium acetate 4% (w/v) PEG8000 |
