7BAT
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | DIAMOND |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 39.887, 42.736, 126.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.480 - 1.770 |
| R-factor | 0.2585 |
| Rwork | 0.258 |
| R-free | 0.26080 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.119 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | Arcimboldo (lite) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.480 | 40.480 | 1.810 |
| High resolution limit [Å] | 1.770 | 9.030 | 1.770 |
| Rmerge | 0.039 | 0.027 | 3.324 |
| Rmeas | 0.041 | 0.030 | 3.473 |
| Rpim | 0.012 | 0.011 | 0.990 |
| Total number of observations | 1021 | 7116 | |
| Number of reflections | 10914 | 105 | 596 |
| <I/σ(I)> | 21.6 | 62.3 | 0.6 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 12.6 | 9.7 | 11.9 |
| CC(1/2) | 1.000 | 0.998 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.5 mM peptide, 50 mM MES, 5 % w/v PEG 5000 MME, 6 % v/v 1-propanol. |
