7Q1T
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | I 41 |
Unit cell lengths | 47.219, 47.219, 70.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.190 - 1.680 |
R-factor | 0.19 |
Rwork | 0.186 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | poly-alanine coiled-coil |
RMSD bond length | 0.002 |
RMSD bond angle | 0.322 |
Data reduction software | DIALS (2.0.2) |
Data scaling software | DIALS (2.0.2) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.190 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.415 | 1.587 |
Rmeas | 0.437 | 1.678 |
Rpim | 0.135 | 0.531 |
Number of reflections | 8726 | 854 |
<I/σ(I)> | 30.55 | 1.33 |
Completeness [%] | 98.3 | 96.7 |
Redundancy | 10.5 | 10.6 |
CC(1/2) | 0.994 | 0.269 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.2M lithium sulfate, 0.1M phosphate citrate pH 4.2, 10% isopropanol |