6AUP
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 | 2015-07-01 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.878, 80.444, 94.171 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.170 - 1.950 |
| R-factor | 0.17577 |
| Rwork | 0.173 |
| R-free | 0.22492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j5j |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.390 |
| 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] | 61.170 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.161 | 0.636 |
| Rpim | 0.023 | 0.130 |
| Number of reflections | 32452 | 2732 |
| <I/σ(I)> | 46.8 | 8.5 |
| Completeness [%] | 98.0 | 80 |
| Redundancy | 48.3 | 23.7 |
| CC(1/2) | 0.962 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 100 mM sodium acetate pH 4.6, 2 M (NH4)2SO4 |
