4PNB
A de novo designed hexameric coiled coil CC-Hex3.
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 | 2014-02-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 89.210, 89.210, 89.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.600 - 2.052 |
| R-factor | 0.2428 |
| Rwork | 0.241 |
| R-free | 0.27650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.610 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.701 | |
| Number of reflections | 7572 | |
| <I/σ(I)> | 14.5 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.7 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 0.2 M ammonium sulfate, 0.1 M sodium acetate, 10 % w/v PEG 2000 MME. |
