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. |
