6AU7
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 | 2016-09-01 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 50.173, 48.146, 50.271 |
| Unit cell angles | 90.00, 107.02, 90.00 |
Refinement procedure
| Resolution | 48.070 - 1.900 |
| R-factor | 0.2031 |
| Rwork | 0.202 |
| R-free | 0.21869 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j5j |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.471 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 | 0.215 |
| Number of reflections | 7571 | 195 |
| <I/σ(I)> | 14.3 | 8.5 |
| Completeness [%] | 83.1 | 11.7 |
| Redundancy | 11.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.17M AmSO4, 25.5% PEG 4000 |
