6Q5S
Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.490, 58.490, 89.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.957 - 1.890 |
R-factor | 0.1998 |
Rwork | 0.198 |
R-free | 0.23190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.762 |
Data reduction software | XDS (20171111) |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHENIX (1.13_2998) |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.960 | 48.960 | 1.920 |
High resolution limit [Å] | 1.890 | 8.450 | 1.890 |
Rmerge | 0.143 | 0.044 | 3.429 |
Rmeas | 0.149 | 0.046 | 3.559 |
Rpim | 0.040 | 0.012 | 0.951 |
Number of reflections | 13052 | 196 | 940 |
<I/σ(I)> | 15.1 | 45.7 | 1.1 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 25.2 | 18.6 | 26.5 |
CC(1/2) | 0.999 | 1.000 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.15 M sodium chloride, 50 mM sodium HEPES |