8PJU
Crystal structure of the computationally designed SAKe6DEtal protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.435, 78.007, 85.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.510 - 1.720 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.393 |
| 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] | 46.070 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.094 | 1.078 |
| Rmeas | 0.099 | 1.135 |
| Rpim | 0.030 | 0.346 |
| Total number of observations | 295871 | 15275 |
| Number of reflections | 27630 | 1436 |
| <I/σ(I)> | 16 | 2.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 10.7 | 10.6 |
| CC(1/2) | 0.999 | 0.878 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.2 M Lithium sulfate, 0.1 M bis-Tris pH 5.5, 25 % PEG 3350 |
