8CUS
Accurate computational design of genetically encoded 3D protein crystals
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-21 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 235.728, 235.728, 235.728 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.120 - 3.980 |
R-factor | 0.1794 |
Rwork | 0.176 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Design Model |
RMSD bond length | 0.003 |
RMSD bond angle | 0.623 |
Data reduction software | XDS |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.120 | 4.120 |
High resolution limit [Å] | 3.980 | 3.980 |
Rmerge | 0.193 | |
Rpim | 0.031 | 0.577 |
Number of reflections | 11820 | 3279 |
<I/σ(I)> | 20.4 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 39.5 | |
CC(1/2) | 1.000 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 25 mM Tris-HCl, 150 mM NaCl, pH 8.0, 500 mM imidazole |