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 | 2020-07-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 24.974, 34.942, 72.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.460 - 1.920 |
| R-factor | 0.15335 |
| Rwork | 0.149 |
| R-free | 0.18954 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.285 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.460 | 2.000 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.140 | 0.346 |
| Rmeas | 0.153 | 0.380 |
| Rpim | 0.080 | 0.152 |
| Number of reflections | 2609 | 280 |
| <I/σ(I)> | 7.1 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.4 | 5.9 |
| CC(1/2) | 0.989 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 293 | 1.5 mM peptide, 50 mM Cadmium chloride hemi(pentahydrate), 50 mM Sodium acetate, and 15 % v/v PEG 400, at pH 4.6 |
