4R94
Structure of the nickase domain of NS1 from MVM complexed with magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.016, 121.377, 41.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.676 - 1.668 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pp4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.971 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.668 | 1.670 |
| Rmerge | 0.036 | 0.453 |
| Number of reflections | 34417 | |
| <I/σ(I)> | 37.118 | 3.125 |
| Completeness [%] | 97.2 | 95.9 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 2.8M sodium formate, 100mM sodium acetate trihydrate pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
