8QAE
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix alpha-helical barrel, sc-apCC-6-SLLA
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 | 2023-03-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.92 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.823, 42.176, 71.522 |
Unit cell angles | 90.00, 123.51, 90.00 |
Refinement procedure
Resolution | 21.400 - 1.900 |
R-factor | 0.2069 |
Rwork | 0.206 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.499 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.400 | 1.980 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.081 | 0.464 |
Rmeas | 0.088 | 0.510 |
Rpim | 0.034 | 0.207 |
Number of reflections | 25168 | 2501 |
<I/σ(I)> | 14.57 | 1.66 |
Completeness [%] | 99.8 | 99.92 |
Redundancy | 6.7 | 6 |
CC(1/2) | 0.985 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2 M CaCl2, 0.1 M MES pH 6.0, 20% w/v PEG 6000 |