6TJF
Crystal structure of the computationally designed Cake6 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 | 2019-09-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 68.812, 79.670, 79.670 |
Unit cell angles | 75.25, 66.14, 66.14 |
Refinement procedure
Resolution | 57.050 - 2.400 |
R-factor | 0.1903 |
Rwork | 0.187 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Cake9 crystal structure |
RMSD bond length | 0.010 |
RMSD bond angle | 0.948 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.050 | 2.470 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.053 | 0.386 |
Rmeas | 0.062 | 0.453 |
Rpim | 0.033 | 0.024 |
Number of reflections | 54166 | 4459 |
<I/σ(I)> | 8.4 | 2.3 |
Completeness [%] | 98.5 | 97.7 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.998 | 0.907 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2M Lithium sulfate, 0.1M Tris pH 8.5, 25% PEG5000MME |