9SQL
helical Aurein 3.3, hP form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 VENTURE |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-05-26 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 0.71073 |
| Spacegroup name | H 3 |
| Unit cell lengths | 63.020, 63.020, 41.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.799 - 1.800 |
| Rwork | 0.221 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.195 |
| Data reduction software | DIALS (3.8) |
| Data scaling software | STARANISO (3.352) |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.100)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.799 | 1.980 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.107 | 1.191 |
| Rmeas | 0.129 | |
| Number of reflections | 17128 | 3143 |
| <I/σ(I)> | 5.91 | 0.79 |
| Completeness [%] | 99.7 | 98.75 |
| Redundancy | 3 | 2.3 |
| CC(1/2) | 0.997 | 0.162 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | 200mM MgCl2, 100 mM NaCacodylate pH 6.5, 50% PEG 200 under 3:1 parrafin : silicone oil |
