7NFG
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.670, 57.240, 91.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.420 - 1.090 |
| R-factor | 0.1427 |
| Rwork | 0.141 |
| R-free | 0.16950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.180 |
| Data reduction software | iMOSFLM (7.2.0) |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 14.420 | 14.410 | 1.110 |
| High resolution limit [Å] | 1.090 | 5.970 | 1.090 |
| Rmerge | 0.070 | 0.051 | 1.430 |
| Rmeas | 0.073 | 0.053 | 1.502 |
| Rpim | 0.021 | 0.015 | 0.454 |
| Number of reflections | 70145 | 476 | 3381 |
| <I/σ(I)> | 13.8 | 53.1 | 1.7 |
| Completeness [%] | 99.9 | 93.1 | 98.8 |
| Redundancy | 11.8 | 11.8 | 10.6 |
| CC(1/2) | 0.999 | 0.998 | 0.321 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 50 mM sodium cacodylate, 20% 2-methyl-2,4-pentanediol (MPD) and 2.5% PEG 8000. |
