3RA3
Crystal structure of a section of a de novo design gigaDalton protein fibre
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Wavelength(s) | 1.7 |
| Spacegroup name | P 32 |
| Unit cell lengths | 45.082, 45.082, 67.593 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.540 - 2.310 |
| R-factor | 0.1941 |
| Rwork | 0.188 |
| R-free | 0.24800 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.816 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.102 | 0.606 |
| Number of reflections | 6777 | |
| <I/σ(I)> | 21 | 1.95 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 8.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 0.2M zinc acetate, 0.1M sodium acetate, 10%(w/v) PEG 3K, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
