6OLN
Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled-Coil Peptides: Orthorhombic 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 | 2018-10-16 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.783, 50.962, 79.264 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.550 - 2.500 |
| R-factor | 0.271 |
| Rwork | 0.268 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dzl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.884 |
| 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] | 41.545 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.057 | 0.081 |
| Number of reflections | 7260 | 718 |
| <I/σ(I)> | 18 | 11.6 |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 3.68 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350, 5 mM copper(II) chloride |
