8UJA
T33-fn10 - Designed Tetrahedral Protein Cage Using Fragment-based Hydrogen Bond Networks
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 | 2022-04-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 3 |
Unit cell lengths | 225.630, 225.630, 225.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.110 - 6.000 |
R-factor | 0.218 |
Rwork | 0.214 |
R-free | 0.24810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.020 |
Data reduction software | XDS (20220110) |
Data scaling software | XDS (20220110) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.110 | 92.110 | 6.150 |
High resolution limit [Å] | 6.000 | 26.830 | 6.000 |
Rmerge | 0.174 | 0.064 | 2.174 |
Rmeas | 0.182 | 0.068 | 2.285 |
Number of reflections | 18590 | 212 | 1368 |
<I/σ(I)> | 9.17 | ||
Completeness [%] | 100.0 | ||
Redundancy | 10.6 | ||
CC(1/2) | 0.997 | 0.998 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 100 mM HEPES pH 7.5, 10% PEG 8000, 10% Ethylene glycol |