8PJV
Crystal structure of the computationally designed SAKe6DR 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) | 0.97950 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.932, 87.949, 78.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.570 - 1.140 |
R-factor | 0.1585 |
Rwork | 0.158 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.288 |
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] | 46.570 | 1.160 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.046 | 0.521 |
Rmeas | 0.049 | 0.569 |
Rpim | 0.016 | 0.223 |
Total number of observations | 847426 | 27777 |
Number of reflections | 96205 | 4463 |
<I/σ(I)> | 19.6 | 3 |
Completeness [%] | 99.5 | |
Redundancy | 8.8 | 6.2 |
CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.18 M Magnesium chloride, 0.09 M HEPES sodium salt pH 7.5, 27% (v/v) PEG 400, 10% (v/v) Glycerol |