8PJV
Crystal structure of the computationally designed SAKe6DR 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 | 2018-04-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.932, 87.949, 78.373 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.570 - 1.140 |
| R-factor | 0.1585 |
| Rwork | 0.158 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.288 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.570 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.046 | 0.521 |
| Rmeas | 0.049 | 0.569 |
| Rpim | 0.016 | 0.223 |
| Total number of observations | 847426 | 27777 |
| Number of reflections | 96205 | 4463 |
| <I/σ(I)> | 19.6 | 3 |
| Completeness [%] | 99.5 | |
| Redundancy | 8.8 | 6.2 |
| CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.18 M Magnesium chloride, 0.09 M HEPES sodium salt pH 7.5, 27% (v/v) PEG 400, 10% (v/v) Glycerol |
