5EZE
A de novo designed heptameric coiled coil CC-Hept-I18betaMeCys-L22H-I25E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2014-11-24 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 62.450, 60.490, 68.812 |
Unit cell angles | 90.00, 112.43, 90.00 |
Refinement procedure
Resolution | 43.830 - 1.800 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.24070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pna |
RMSD bond length | 0.007 |
RMSD bond angle | 0.861 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.833 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.071 | 0.071 |
Number of reflections | 21962 | |
<I/σ(I)> | 7.1 | 2.6 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium formate with 20% w/v PEG 3350. |