5F2Y
A de novo designed heptameric coiled coil CC-Hept-homoCys-H-E
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 | 2015-04-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 62.250, 61.980, 68.710 |
Unit cell angles | 90.00, 110.92, 90.00 |
Refinement procedure
Resolution | 32.090 - 2.100 |
R-factor | 0.2232 |
Rwork | 0.221 |
R-free | 0.26830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pna |
RMSD bond length | 0.007 |
RMSD bond angle | 0.913 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.090 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.128 | 0.612 |
Number of reflections | 14347 | |
<I/σ(I)> | 6.4 | 2.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5.7 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M HEPES at pH 7.0 with 18% w/v PEG 12000. |