7SOH
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 22.498, 26.350, 47.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.870 - 1.810 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6atw |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.855 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.875 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.057 | |
| Rmeas | 0.064 | |
| Number of reflections | 2451 | 91 |
| <I/σ(I)> | 33 | |
| Completeness [%] | 86.0 | 15.6 |
| Redundancy | 5.4 | |
| CC(1/2) | 0.988 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M tri-Potassium Citrate, 20% (w/v) PEG3350 |
