6G65
Crystal structure of a parallel six-helix coiled coil CC-Type2-VV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-05-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.561, 96.793, 56.400 |
| Unit cell angles | 90.00, 124.02, 90.00 |
Refinement procedure
| Resolution | 13.880 - 1.150 |
| R-factor | 0.1767 |
| Rwork | 0.176 |
| R-free | 0.18960 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.680 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | Arcimboldo (4.0.0) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 14.280 | 14.280 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.064 | 0.068 | 0.328 |
| Rmeas | 0.069 | 0.075 | 0.359 |
| Rpim | 0.027 | 0.030 | 0.144 |
| Total number of observations | 622875 | ||
| Number of reflections | 99219 | 595 | 4990 |
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 96.4 | 91.5 | 97.9 |
| Redundancy | 6.3 | 7.5 | 6.3 |
| CC(1/2) | 0.996 | 0.992 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 5 mM Manganese(II) chloride tetrahydrate, 50 mM Sodium citrate and 1.25 M 1,6-Hexanediol |
