9GF2
CC-Hex-hen2 variant peptide with Hendecad repeat substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.563, 58.157, 59.258 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.610 - 2.099 |
| Rwork | 0.224 |
| R-free | 0.29250 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.694 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.610 | 2.160 |
| High resolution limit [Å] | 2.099 | 2.100 |
| Rmerge | 0.011 | 0.071 |
| Rmeas | 0.015 | 0.101 |
| Rpim | 0.011 | 0.071 |
| Number of reflections | 10287 | 812 |
| <I/σ(I)> | 26.6 | 4.7 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 1.8 | 1.9 |
| CC(1/2) | 1.000 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium Acetate, 0.1 M BIS-Tris, pH 5.5, 25% w/v PEG 3350 |
