6ATS
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 | 2016-03-08 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 46.102, 21.323, 20.368 |
| Unit cell angles | 90.00, 92.60, 90.00 |
Refinement procedure
| Resolution | 23.030 - 1.900 |
| R-factor | 0.13412 |
| Rwork | 0.132 |
| R-free | 0.17907 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.279 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.032 | 0.035 |
| Rpim | 0.022 | 0.028 |
| Number of reflections | 2535 | 63 |
| <I/σ(I)> | 14.45 | |
| Completeness [%] | 89.6 | 45 |
| Redundancy | 2.7 | 1.6 |
| CC(1/2) | 0.994 | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris pH 8.5, 20% Ethanol |
