8QAF
X-ray crystal structure of a de novo designed single-chain antiparallel 8-helix coiled-coil alpha-helical barrel, sc-apCC-8
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 | 2023-05-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 50.002, 50.002, 57.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.660 - 2.000 |
R-factor | 0.2492 |
Rwork | 0.249 |
R-free | 0.25240 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.006 |
RMSD bond angle | 0.573 |
Data reduction software | AutoProcess |
Data scaling software | AutoProcess |
Phasing software | Arcimboldo |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.660 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.012 | 0.092 |
Rmeas | 0.017 | 0.131 |
Rpim | 0.012 | 0.092 |
Number of reflections | 5290 | 504 |
<I/σ(I)> | 15.06 | 5.24 |
Completeness [%] | 99.6 | 100 |
Redundancy | 2 | |
CC(1/2) | 0.934 | 0.976 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M sodium formate, 0.1 M Bis Tris propane, pH 8.5, 20 % w/v PEG 3350 |