6NUK
De novo designed protein Ferredog-Diesel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999989 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 69.210, 69.210, 90.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.290 - 1.920 |
| R-factor | 0.2521 |
| Rwork | 0.248 |
| R-free | 0.29090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Computational model generated by Rosetta software |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.694 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX ((1.14_3235: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.290 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.089 | 3.160 |
| Rmeas | 0.094 | 3.310 |
| Rpim | 0.027 | 0.960 |
| Number of reflections | 17452 | 1682 |
| <I/σ(I)> | 16.94 | 0.86 |
| Completeness [%] | 99.1 | 97.65 |
| Redundancy | 11.7 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 291.15 | 0.1 M citrate pH 4.0, 3.0 M sodium chloride |
