6AVC
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 | 2015-07-21 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 43.454, 43.454, 32.078 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.630 - 1.880 |
| R-factor | 0.16449 |
| Rwork | 0.161 |
| R-free | 0.23813 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c49 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.611 |
| 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 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.100 | 0.415 |
| Rpim | 0.013 | 0.421 |
| Number of reflections | 2578 | 108 |
| <I/σ(I)> | 59.3 | 16.2 |
| Completeness [%] | 85.2 | 38 |
| Redundancy | 57.7 | 40.4 |
| CC(1/2) | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 200 mM Na Malonate pH 7, 17% PEG 3350 |
