6TJI
Crystal structure of the computationally designed Cake10 protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.014, 63.328, 85.264 |
Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
Resolution | 42.630 - 2.200 |
R-factor | 0.2222 |
Rwork | 0.220 |
R-free | 0.26050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Structure Cake9 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.101 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.020 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.086 | 0.674 |
Rmeas | 0.097 | 0.760 |
Rpim | 0.044 | 0.344 |
Number of reflections | 34755 | 3008 |
<I/σ(I)> | 8.9 | 2.3 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 4.5 | 4.6 |
CC(1/2) | 0.995 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2M Ammonium Phosphate, 20% PEG3350 |