6ATY
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 | 2016-04-08 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 39.775, 39.775, 68.563 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.450 - 1.800 |
| R-factor | 0.16899 |
| Rwork | 0.166 |
| R-free | 0.22294 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.713 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.103 | |
| Rpim | 0.670 | |
| Number of reflections | 10167 | 147 |
| <I/σ(I)> | 105.8 | 11.6 |
| Completeness [%] | 90.0 | 27.6 |
| Redundancy | 16.9 | 2.3 |
| CC(1/2) | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 298 | 0.1 M Phosphate-citrate pH 4.2, 40% Ethanol, 5% PEG 000 |
