9CC5
De novo design of high-affinity protein binders to bio active peptide Amylin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-31 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.336, 34.519, 127.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.320 - 1.870 |
| R-factor | 0.2305 |
| Rwork | 0.226 |
| R-free | 0.27240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.311 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4761) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.320 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.159 | 1.790 |
| Rpim | 0.067 | |
| Number of reflections | 12855 | 1372 |
| <I/σ(I)> | 7.94 | 1.22 |
| Completeness [%] | 99.4 | 99.28 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.999 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M succinic acid, sodium phosphate monobasic monohydrate, glycine mixture at pH 6 and 30% w/v PEG 1000 |
