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 | 2019-06-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.539, 31.269, 64.473 |
| Unit cell angles | 90.00, 98.08, 90.00 |
Refinement procedure
| Resolution | 63.830 - 1.900 |
| R-factor | 0.18274 |
| Rwork | 0.180 |
| R-free | 0.22492 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.354 |
| Data reduction software | autoPROC (2.2.19) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | Arcimboldo (1.0.21) |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.830 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.038 | 0.119 |
| Rmeas | 0.054 | 0.168 |
| Rpim | 0.038 | 0.119 |
| Number of reflections | 13477 | 846 |
| <I/σ(I)> | 15.4 | 6 |
| Completeness [%] | 97.7 | 96.6 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | 0.9 mM peptide, 50 mM Tris, and 10 % v/v MPD, at pH 8.0. |
