8PJW
Crystal structure of the computationally designed SAKe6FE 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) | 0.978570 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.703, 65.603, 78.283 |
Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
Resolution | 33.650 - 1.650 |
R-factor | 0.1778 |
Rwork | 0.176 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.552 |
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] | 39.740 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.101 | 0.708 |
Rmeas | 0.112 | 0.786 |
Rpim | 0.047 | 0.336 |
Total number of observations | 300640 | 14862 |
Number of reflections | 55648 | 2764 |
<I/σ(I)> | 10.6 | 2.8 |
Completeness [%] | 99.8 | |
Redundancy | 5.4 | 5.4 |
CC(1/2) | 0.997 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.2 M AmSO4 , 0.1 M Na acetate pH 4.6, 30%(w/v) PEG 2000 MME |