6OLO
Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled-Coil Peptides: Hexagonal Lattice from a Trimeric Coiled Coil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-01-14 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 39.739, 39.739, 41.945 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.870 - 2.300 |
| R-factor | 0.259 |
| Rwork | 0.257 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dzl CHAIN A |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.968 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.610 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.369 |
| Number of reflections | 1094 | |
| <I/σ(I)> | 16.3 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.25 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 25% w/v PEG 3350, 5 mM copper(II) chloride |
