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. |