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 |
