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 |