6XXZ
Crystal structure of a de novo designed parallel four-helix coiled coil, 2-EK-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 47.560, 50.840, 43.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.940 - 1.700 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.735 |
Data reduction software | iMOSFLM (7.2.2) |
Data scaling software | Aimless |
Phasing software | PHASER (2.7.0) |
Refinement software | PHENIX (1.16-3546) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.940 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 6093 | 308 |
<I/σ(I)> | 12.8 | 1.9 |
Completeness [%] | 99.6 | 100 |
Redundancy | 7.9 | 7.7 |
CC(1/2) | 0.990 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M sodium propionate, 0.1 M sodium cacodylate trihydrate, 0.1 M bis-tris propane, 25% PEG1500, pH 7.0, supplemented with 25% glycerol for cryo-protection |