6XY0
Crystal structure of a de novo designed parallel four-helix coiled coil, 3-EK-4
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 | 2017-05-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.460, 48.550, 36.570 |
Unit cell angles | 90.00, 96.19, 90.00 |
Refinement procedure
Resolution | 29.290 - 1.110 |
R-factor | 0.1674 |
Rwork | 0.164 |
R-free | 0.19940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.618 |
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] | 48.550 | 1.120 |
High resolution limit [Å] | 1.110 | 1.110 |
Number of reflections | 38599 | 1806 |
<I/σ(I)> | 12.7 | 1.9 |
Completeness [%] | 94.5 | 90.6 |
Redundancy | 6.1 | 5.4 |
CC(1/2) | 0.998 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M sodium HEPES, 0.2 sodium citrate tribasic dihydrate, 20 % 2-propanol, pH 7.5, supplemented with 25% glycerol for cryo-protection |