8PJT
Crystal structure of the computationally designed SAKe6DEref 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 | 2018-07-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.867023 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.531, 58.531, 78.706 |
| Unit cell angles | 90.00, 90.00, 82.15 |
Refinement procedure
| Resolution | 39.350 - 1.700 |
| R-factor | 0.1821 |
| Rwork | 0.180 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.271 |
| 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] | 46.680 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.071 | 0.391 |
| Rmeas | 0.091 | 0.499 |
| Rpim | 0.056 | 0.305 |
| Total number of observations | 273253 | 12941 |
| Number of reflections | 110541 | 5406 |
| <I/σ(I)> | 7.5 | 2.1 |
| Completeness [%] | 97.1 | |
| Redundancy | 2.5 | 2.4 |
| CC(1/2) | 0.991 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.2 M Magnesium chloride, 0.1 M Tris pH 7, 10% PEG 8000 |
