6UF8
S2 symmetric peptide design number 6, London Bridge
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 | 2017-10-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.8856 |
Spacegroup name | H -3 |
Unit cell lengths | 32.720, 32.720, 25.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.360 - 0.800 |
R-factor | 0.146 |
Rwork | 0.146 |
R-free | 0.14830 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.008 |
RMSD bond angle | 1.413 |
Data reduction software | XDS (20170923) |
Data scaling software | XSCALE (20170923) |
Phasing software | SHELXD |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.930 | 18.930 | 0.820 |
High resolution limit [Å] | 0.800 | 3.580 | 0.800 |
Rmerge | 0.056 | 0.067 | 0.280 |
Rmeas | 0.060 | 0.076 | 0.364 |
Number of reflections | 10306 | 113 | 474 |
<I/σ(I)> | 18.88 | 29.64 | 2.54 |
Completeness [%] | 96.1 | 95 | 60.8 |
Redundancy | 5.695 | 6.062 | 2.211 |
CC(1/2) | 0.996 | 0.988 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 0.1 M phosphate/citrate pH 4.2, 40% (v/v) PEG 300 |