7BAV
A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | DIAMOND |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.734, 51.831, 55.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.760 - 1.300 |
| R-factor | 0.1874 |
| Rwork | 0.186 |
| R-free | 0.21440 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.925 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | ACORN (Fragon) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.730 | 43.730 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.172 | 0.060 | 5.072 |
| Rmeas | 0.178 | 0.063 | 5.255 |
| Rpim | 0.043 | 0.017 | 1.358 |
| Total number of observations | 540575 | 3552 | 21977 |
| Number of reflections | 31472 | 243 | 1498 |
| <I/σ(I)> | 7.4 | 21.1 | 0.8 |
| Completeness [%] | 99.9 | 99.9 | 97.1 |
| Redundancy | 17.2 | 14.6 | 14.7 |
| CC(1/2) | 0.998 | 0.998 | 0.446 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 600 mM peptide, 50 mM potassium chloride, 50 mM Na HEPES, 7.5 % w/v PEG 5000 MME |
