5IM4
Crystal structure of designed two-component self-assembling icosahedral cage I52-32
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 | 258.820, 258.820, 641.730 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 110.724 - 3.500 |
R-factor | 0.2275 |
Rwork | 0.227 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rosetta design generated based on the PDB files 2jfb and 3lfh but with differences |
RMSD bond length | 0.008 |
RMSD bond angle | 1.071 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 213.900 | 213.900 | 3.590 |
High resolution limit [Å] | 3.500 | 15.650 | 3.500 |
Rmerge | 0.132 | 0.059 | 0.674 |
Number of reflections | 200420 | ||
<I/σ(I)> | 7.31 | 18.96 | 1.9 |
Completeness [%] | 99.1 | 96.5 | 97.5 |
Redundancy | 3.6 | ||
CC(1/2) | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.17 M potassium sodium tartrate tetrahydrate |