6UF7
S2 symmetric peptide design number 5, Uncle Fester
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.7293 |
Spacegroup name | P 1 21/c 1 |
Unit cell lengths | 12.200, 10.980, 25.540 |
Unit cell angles | 90.00, 114.90, 90.00 |
Refinement procedure
Resolution | 11.580 - 0.800 |
R-factor | 0.0504 |
Rwork | 0.050 |
R-free | 0.05180 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.010 |
RMSD bond angle | 1.703 |
Data reduction software | XDS (20180126) |
Data scaling software | XSCALE (20180126) |
Phasing software | SHELXT |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 11.583 | 11.583 | 0.820 |
High resolution limit [Å] | 0.800 | 3.580 | 0.800 |
Rmerge | 0.079 | 0.093 | 0.085 |
Rmeas | 0.086 | 0.101 | 0.092 |
Number of reflections | 6184 | 68 | 456 |
<I/σ(I)> | 19.01 | 22.68 | 16.07 |
Completeness [%] | 97.1 | 97.1 | 93.6 |
Redundancy | 6.46 | 6.574 | 6.298 |
CC(1/2) | 0.992 | 0.979 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.17 M ammonium sulfate, 25.5% (w/v) PEG 4000, 15% (v/v) glycerol |