5EZ9
A de novo designed heptameric coiled coil CC-Hept-I-H-I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2014-08-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 62.400, 63.030, 70.122 |
| Unit cell angles | 90.00, 108.40, 90.00 |
Refinement procedure
| Resolution | 43.150 - 1.800 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pna |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.849 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.150 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.134 | 0.343 |
| Number of reflections | 23051 | |
| <I/σ(I)> | 5.1 | 2.7 |
| Completeness [%] | 96.3 | 95.4 |
| Redundancy | 2.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.2 M MgSO4, 0.1 M Tris at ph 8.5 with 3.4 M 1,6-hexanediol |
