5IM6
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
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 | 2015-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97920 |
| Spacegroup name | H 3 |
| Unit cell lengths | 284.170, 284.170, 640.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 213.200 - 5.588 |
| R-factor | 0.2274 |
| Rwork | 0.226 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Rosetta design generated based on the PDB files 2zhz and 3nqn but with differences |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.086 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 213.200 | 213.200 | 5.730 |
| High resolution limit [Å] | 5.580 | 24.960 | 5.580 |
| Rmerge | 0.077 | 0.028 | 0.973 |
| Number of reflections | 59695 | ||
| <I/σ(I)> | 13.46 | 44.14 | 1.57 |
| Completeness [%] | 99.5 | 99.1 | 95.2 |
| Redundancy | 5.9 | ||
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12.3% PEG 1500, 18% glycerol |
