7BAW
A heptameric 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 | 2020-02-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 37.456, 50.434, 126.608 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.480 - 1.710 |
R-factor | 0.2345 |
Rwork | 0.233 |
R-free | 0.25890 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.014 |
RMSD bond angle | 1.604 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | ACORN (FRAGON) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.480 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.046 | 3.121 |
Rmeas | 0.048 | |
Rpim | 0.013 | 0.887 |
Number of reflections | 27241 | 1400 |
<I/σ(I)> | 1.78 | 0.9 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 13 | 13 |
CC(1/2) | 1.000 | 0.511 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 25 mM imidazole, 25 mM MES monohydrate (acid) buffer, 15 mM sodium nitrate, 15 mM sodium phosphate dibasic, 15 mM ammonium sulfate, 10% v/v ethylene glycol, and 5 % w/v PEG 8000 at pH 6.5 |