5NGN
Lybatide 2, a cystine-rich peptide from Lycium barbarum
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9184, 1.8000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 19.318, 54.655, 42.400 |
| Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
| Resolution | 41.680 - 1.480 |
| R-factor | 0.10904 |
| Rwork | 0.108 |
| R-free | 0.13700 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.951 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.680 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.033 | 0.039 |
| Rpim | 0.014 | 0.017 |
| Number of reflections | 14465 | 2057 |
| <I/σ(I)> | 44.3 | 31.8 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.999 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.6 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate, pH 4.5, 2% PEG400 |
