8PJY
Crystal structure of the computationally designed SAKe6EEref 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) | 0.978570 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.048, 66.661, 48.243 |
| Unit cell angles | 90.00, 117.59, 90.00 |
Refinement procedure
| Resolution | 42.760 - 1.300 |
| R-factor | 0.1371 |
| Rwork | 0.136 |
| R-free | 0.15490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.127 |
| 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] | 42.760 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.039 | 0.645 |
| Rmeas | 0.044 | 0.728 |
| Rpim | 0.020 | 0.332 |
| Total number of observations | 300926 | 15047 |
| Number of reflections | 64797 | 3261 |
| <I/σ(I)> | 18.4 | 2.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 4.6 | 4.6 |
| CC(1/2) | 1.000 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.2 M Ammonium acetate, 0.1 M bis-Tris pH 5.5, 25 % PEG 3350 |
