6I7P
Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8729 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 191.060, 192.060, 407.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.517 - 3.975 |
| R-factor | 0.2804 |
| Rwork | 0.280 |
| R-free | 0.28040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m2x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.963 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.520 | 4.050 |
| High resolution limit [Å] | 3.970 | 3.975 |
| Rmerge | 0.963 | 1.941 |
| Rpim | 0.175 | |
| Number of reflections | 128656 | 6433 |
| <I/σ(I)> | 5.2 | 2 |
| Completeness [%] | 99.6 | 92 |
| Redundancy | 30.2 | 22.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 100 mM Sodium Acetate, 0.950 M di-potassium hydrogen phosphate, 1.1 M sodium dihydrogen phosphate |
