5D9E
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 15.710, 19.312, 39.674 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.837 - 0.859 |
| R-factor | 0.0987 |
| Rwork | 0.098 |
| R-free | 0.10710 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.758 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.840 | 0.870 |
| High resolution limit [Å] | 0.859 | 0.860 |
| Rmerge | 0.035 | 0.380 |
| Number of reflections | 10086 | |
| <I/σ(I)> | 20.3 | 2.7 |
| Completeness [%] | 93.2 | 46.6 |
| Redundancy | 5.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | lithium chloride, PEG 3350 |
