6AV8
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 | 2015-05-05 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 65 |
| Unit cell lengths | 50.639, 50.639, 20.104 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.850 - 1.890 |
| R-factor | 0.21801 |
| Rwork | 0.216 |
| R-free | 0.26723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qk7 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 1.717 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.058 | 0.286 |
| Rpim | 0.059 | 0.118 |
| Number of reflections | 2417 | 94 |
| <I/σ(I)> | 58.11 | |
| Completeness [%] | 97.5 | 80.3 |
| Redundancy | 25.9 | 6.2 |
| CC(1/2) | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 100 citrate pH = 5, 20% w/w PEG 6000 |
