9GF4
CC-Hept-IV-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 | 2023-09-13 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 38.546, 47.919, 153.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.670 - 1.490 |
| R-factor | 0.15195 |
| Rwork | 0.151 |
| R-free | 0.17510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.356 |
| 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] | 19.670 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.045 | 0.300 |
| Rmeas | 0.047 | 0.319 |
| Rpim | 0.013 | 0.102 |
| Number of reflections | 47155 | 2201 |
| <I/σ(I)> | 25.1 | 3.3 |
| Completeness [%] | 99.8 | 96.4 |
| Redundancy | 1 | |
| CC(1/2) | 0.998 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.5 M Ammonium sulfate, 0.1 M Sodium acetate 5.0 |
