8QAC
X-ray crystal structure of a de novo designed antiparallel coiled-coil 8-helix bundle with 4 heptad repeats, antiparallel 8-helix bundle-GLIA
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 | 2021-12-16 |
Detector | DECTRIS EIGER2 XE CdTe 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.271, 45.873, 72.880 |
Unit cell angles | 90.00, 103.94, 90.00 |
Refinement procedure
Resolution | 35.680 - 2.300 |
R-factor | 0.2292 |
Rwork | 0.227 |
R-free | 0.28280 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.001 |
RMSD bond angle | 0.283 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | Arcimboldo |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.680 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.087 | 0.631 |
Rmeas | 0.094 | 0.682 |
Rpim | 0.036 | 0.256 |
Number of reflections | 20647 | 2038 |
<I/σ(I)> | 14.52 | 2.45 |
Completeness [%] | 99.5 | 99.46 |
Redundancy | 7 | 7.1 |
CC(1/2) | 0.990 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M of each alcohol, 0.1 M bicine/Trizma base pH 8.5 |