6AVD
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 | 2015-05-27 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 21.502, 26.209, 31.102 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 30.700 - 1.800 |
| R-factor | 0.14215 |
| Rwork | 0.139 |
| R-free | 0.20506 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.723 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.092 |
| Rpim | 0.045 | 0.092 |
| Number of reflections | 2751 | 108 |
| <I/σ(I)> | 14.2 | 6.2 |
| Completeness [%] | 83.9 | 67.9 |
| Redundancy | 1.8 | 1.2 |
| CC(1/2) | 0.985 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 100 mM Na Acetate pH 4.5, 200 mM Li2SO4, 50% PEG400 |
