8A3I
X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 3 heptad repeats, apCC-Tet*3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9253 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 49.028, 49.028, 32.618 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.460 - 1.420 |
R-factor | 0.2014 |
Rwork | 0.200 |
R-free | 0.23190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold model |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.460 | 42.460 | 1.420 |
High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
Rmerge | 0.031 | 0.047 | 0.396 |
Rmeas | 0.038 | 0.061 | 0.501 |
Rpim | 0.021 | 0.039 | 0.299 |
Total number of observations | 27514 | 191 | 1143 |
Number of reflections | 8997 | 70 | 429 |
<I/σ(I)> | 15.2 | 38.1 | 1.7 |
Completeness [%] | 98.1 | 96.8 | 95.9 |
Redundancy | 3.1 | 2.7 | 2.7 |
CC(1/2) | 0.995 | 0.969 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.4 M sodium citrate tribasic dihydrate 0.1 M sodium HEPES pH 7.5 |