8QAD
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix coiled-coil alpha-helical barrel, sc-apCC-6-LLIA
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) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.549, 60.875, 77.949 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.980 - 2.250 |
R-factor | 0.2498 |
Rwork | 0.248 |
R-free | 0.27740 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.001 |
RMSD bond angle | 0.256 |
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] | 47.980 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.023 | 0.205 |
Rmeas | 0.032 | 0.290 |
Rpim | 0.023 | 0.205 |
Number of reflections | 8255 | 800 |
<I/σ(I)> | 9.72 | 3 |
Completeness [%] | 99.6 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M potassium formate, 20% w/v PEG 3350 |