5OPP
Crystal structure of S408R cN-II mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 91.668, 127.025, 130.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.830 - 1.700 |
| R-factor | 0.1916 |
| Rwork | 0.191 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k7y |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.557 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.830 | 1.800 |
| High resolution limit [Å] | 1.698 | 1.700 |
| Rmerge | 0.056 | 0.739 |
| Rmeas | 0.065 | 0.861 |
| Number of reflections | 82606 | 12777 |
| <I/σ(I)> | 13.7 | 1.34 |
| Completeness [%] | 98.3 | 95.2 |
| Redundancy | 3.6 | 3.63 |
| CC(1/2) | 0.999 | 0.486 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M bicine/Trizma base pH 8.5; 0.03 M of each halide; 10% w/v PEG 8000, 20% v/v ethylene glycol B10 Morpheus condition |
