8QAH
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
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) | 0.99990 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.054, 78.587, 98.174 |
Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
Resolution | 49.090 - 2.350 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.415 |
Data reduction software | AutoProcess |
Data scaling software | AutoProcess |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.090 | 2.434 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.096 | 0.464 |
Rmeas | 0.136 | 0.656 |
Rpim | 0.096 | 0.464 |
Number of reflections | 29247 | 2871 |
<I/σ(I)> | 5.98 | 1.81 |
Completeness [%] | 99.6 | 97.85 |
Redundancy | 2 | 2 |
CC(1/2) | 0.988 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Pact Premier D11: 0.2 M calcium chloride, 0.1 M TRIS, pH 8, 20 % w/v PEG 6000 |