9QT7
Crystal structure of affitin C10 fused to a coiled-coil domain in complex with a quinoline oligoamide foldamer
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.976258 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.460, 105.540, 65.520 |
| Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
| Resolution | 64.660 - 2.800 |
| R-factor | 0.2474 |
| Rwork | 0.245 |
| R-free | 0.29560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.728 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.660 | 3.020 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.065 | 0.370 |
| Rmeas | 0.071 | 0.412 |
| Rpim | 0.028 | 0.178 |
| Number of reflections | 13610 | 2420 |
| <I/σ(I)> | 15.87 | 3.34 |
| Completeness [%] | 96.5 | 86.14 |
| Redundancy | 6.1 | 5.2 |
| CC(1/2) | 0.999 | 0.954 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG 400 0.1M Sodium cacodylate pH 6.5 |
