4DDF
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4
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 | CCD |
| Collection date | 2011-07-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 4 |
| Unit cell lengths | 169.460, 169.460, 119.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 3.150 |
| R-factor | 0.1851 |
| Rwork | 0.183 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.280 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.800 | 3.770 | 3.230 |
| High resolution limit [Å] | 3.150 | 3.640 | 3.150 |
| Rmerge | 0.101 | 0.217 | 0.576 |
| Number of reflections | 57838 | ||
| <I/σ(I)> | 8.74 | 5.62 | 1.55 |
| Completeness [%] | 98.3 | 99.9 | 92.1 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 1.0M sodium chloride, 0.35M lithium sulfate, 0.1 M sodium acetate, pH 4.5, 2M lithium sulfate as cryoprotectant, vapor diffusion, hanging drop, temperature 298K |
