6Q5S
Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.490, 58.490, 89.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.957 - 1.890 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.762 |
| Data reduction software | XDS (20171111) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHENIX (1.13_2998) |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.960 | 48.960 | 1.920 |
| High resolution limit [Å] | 1.890 | 8.450 | 1.890 |
| Rmerge | 0.143 | 0.044 | 3.429 |
| Rmeas | 0.149 | 0.046 | 3.559 |
| Rpim | 0.040 | 0.012 | 0.951 |
| Number of reflections | 13052 | 196 | 940 |
| <I/σ(I)> | 15.1 | 45.7 | 1.1 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 25.2 | 18.6 | 26.5 |
| CC(1/2) | 0.999 | 1.000 | 0.553 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.15 M sodium chloride, 50 mM sodium HEPES |
