9GF3
CC-Hept-hen2 variant peptide with Hendecad repeat substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.267, 61.754, 154.441 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.410 - 1.650 |
| R-factor | 0.17786 |
| Rwork | 0.177 |
| R-free | 0.19963 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.652 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.410 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.020 | 0.229 |
| Rmeas | 0.028 | 0.324 |
| Rpim | 0.020 | 0.229 |
| Number of reflections | 70317 | 3458 |
| <I/σ(I)> | 19 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 1.000 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium formate dihydrate, 20%w/v PEG 3350 |
