8PJX
Crystal structure of the computationally designed SAKe6FR 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) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.032, 68.032, 117.857 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.110 - 1.700 |
| R-factor | 0.1821 |
| Rwork | 0.182 |
| R-free | 0.18540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.161 |
| 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] | 48.110 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.046 | 1.018 |
| Rmeas | 0.048 | 1.048 |
| Rpim | 0.011 | 0.246 |
| Total number of observations | 557244 | 29177 |
| Number of reflections | 31265 | 1627 |
| <I/σ(I)> | 30.9 | 3.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 17.8 | 17.9 |
| CC(1/2) | 1.000 | 0.974 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.19 M Calcium chloride, 0.095 M HEPES sodium salt pH 7.5, 26.6% (v/v) PEG 400, 5% (v/v) Glycerol |
