5OPN
Crystal structure of R39Q 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 | 2016-04-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 91.469, 127.115, 130.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.450 - 1.770 |
| R-factor | 0.1799 |
| Rwork | 0.179 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k7y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.450 | 1.870 |
| High resolution limit [Å] | 1.766 | 1.770 |
| Rmerge | 0.054 | 0.612 |
| Rmeas | 0.063 | 0.710 |
| Number of reflections | 73833 | 11758 |
| <I/σ(I)> | 16.7 | 1.91 |
| Completeness [%] | 99.1 | 98.9 |
| Redundancy | 4.6 | 3.81 |
| CC(1/2) | 0.999 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M MES/imidazole pH 6.5; 0.02 M of each carboxylic acid; 10% w/v PEG 20 000, 20% v/v PEG MME 550 G1 Morpheus condition |
