5EHB
A de novo designed hexameric coiled-coil peptide with iodotyrosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.800 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 53.068, 53.068, 136.114 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.350 - 3.190 |
| R-factor | 0.3359 |
| Rwork | 0.326 |
| R-free | 0.43360 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AutoSol (1.9_1692) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.400 | 3.400 |
| High resolution limit [Å] | 3.190 | 3.200 |
| Rmerge | 0.660 | |
| Number of reflections | 2301 | |
| <I/σ(I)> | 24.2 | 2.6 |
| Completeness [%] | 95.6 | 99 |
| Redundancy | 10.8 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 293 | 2 uL 10 mg/mL pHiosYI mixed with a 2 uL solution of the below components 0.1 M Na HEPES pH 7.5 0.2 M MgCl2 10% (v/v) PEG400 Al's oil was used to separate the external reservoir, which consisted of 15% (v/v) 2-propanol. |
