6ATN
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 | 2016-04-04 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 46.567, 46.567, 44.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.930 - 1.760 |
| R-factor | 0.17157 |
| Rwork | 0.169 |
| R-free | 0.22607 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.452 |
| 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 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.159 | |
| Rpim | 0.173 | |
| Number of reflections | 8524 | 62 |
| <I/σ(I)> | 25.05 | |
| Completeness [%] | 44.7 | 6.4 |
| Redundancy | 2.1 | 1.1 |
| CC(1/2) | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.4 M Na malonate pH 7.0 |
