8CUV
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 | 2022-04-04 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97926 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 293.550, 293.550, 293.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.620 - 2.800 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Design Model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.485 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.620 | 2.920 |
High resolution limit [Å] | 2.770 | 2.770 |
Rmerge | 0.192 | |
Rpim | 0.031 | |
Number of reflections | 28268 | 4016 |
<I/σ(I)> | 20.9 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 39.4 | |
CC(1/2) | 0.999 | 0.466 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 25 mM TrisCl, 150 mM NaCl, pH 8.0 |