6GS3
Crystal Structure of the Uperin-3.5 peptide from Uperoleia mjobergii forming cross-alpha fibril
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-19 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 19.700, 28.440, 20.320 |
Unit cell angles | 90.00, 106.95, 90.00 |
Refinement procedure
Resolution | 19.440 - 1.450 |
R-factor | 0.189 |
Rwork | 0.185 |
R-free | 0.22880 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.016 |
RMSD bond angle | 1.783 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Arcimboldo |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.440 | 19.440 | 1.490 |
High resolution limit [Å] | 1.450 | 6.490 | 1.450 |
Rmerge | 0.085 | 0.041 | 0.601 |
Rmeas | 0.089 | 0.048 | 0.648 |
Number of reflections | 3777 | 48 | 266 |
<I/σ(I)> | 15.7 | 32.41 | 2.72 |
Completeness [%] | 97.0 | 96 | 94.7 |
Redundancy | 10.636 | 10.104 | 7.568 |
CC(1/2) | 0.999 | 0.999 | 0.908 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Reservoir contained 0.1 M KSCN, 0.1 M MES 6.03 pH, 20 %v/v Jeff 600 with cryo-protection of 20% ethylene glycol |