6UCX
S2 symmetric peptide design number 1, Wednesday
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 | 2017-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 1 21/c 1 |
| Unit cell lengths | 12.580, 29.810, 15.260 |
| Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
| Resolution | 14.900 - 0.850 |
| Rwork | 0.076 |
| R-free | 0.08500 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.020 |
| Data reduction software | XDS (20170601) |
| Data scaling software | XSCALE (20170601) |
| Phasing software | SHELXT |
| Refinement software | SHELXT (2018/3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 14.900 | 14.900 | 0.870 |
| High resolution limit [Å] | 0.850 | 3.810 | 0.850 |
| Rmerge | 0.040 | 0.034 | 0.140 |
| Rmeas | 0.044 | 0.036 | 0.171 |
| Number of reflections | 7989 | 105 | 196 |
| <I/σ(I)> | 22.81 | 45.72 | 5.28 |
| Completeness [%] | 82.4 | 100 | 28 |
| Redundancy | 6.251 | 7.057 | 2.724 |
| CC(1/2) | 0.999 | 1.000 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 3.2 M ammonium sulfate, 0.1 M citrate pH 5.0 |
