6UG2
C2 symmetric peptide design number 1, Zappy, crystal form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P -1 |
| Unit cell lengths | 9.810, 17.050, 20.590 |
| Unit cell angles | 105.16, 92.17, 105.93 |
Refinement procedure
| Resolution | 19.730 - 1.100 |
| R-factor | 0.154 |
| Rwork | 0.151 |
| R-free | 0.18200 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.017 |
| RMSD bond angle | 3.495 |
| Data reduction software | XDS (20180808) |
| Data scaling software | XSCALE (20180808) |
| Phasing software | SHELXD |
| Refinement software | PHENIX (V1.16-3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.734 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.250 | 0.898 |
| Number of reflections | 4357 | 240 |
| <I/σ(I)> | 4.08 | 1.14 |
| Completeness [%] | 87.4 | 66.9 |
| Redundancy | 4.753 | 4.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M calcium chloride, 0.1 M HEPES, pH 7.5, 28% (w/v) PEG 400 |
