6N9H
De novo designed homo-trimeric amantadine-binding protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 63 |
| Unit cell lengths | 49.986, 49.986, 67.339 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.431 - 1.039 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | De novo design model ABP |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1616) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.431 | 1.065 |
| High resolution limit [Å] | 1.039 | 1.039 |
| Rmerge | 0.056 | 0.263 |
| Number of reflections | 45841 | 2897 |
| <I/σ(I)> | 62.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 18.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293.15 | 0.1 M citric acid, pH 4.0, 20% PEG6000 |
