6S0J
Structure of Zika virus NS3 helicase in complex with ADP-MgF3(H2O)-
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.943, 69.604, 57.751 |
| Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
| Resolution | 57.650 - 1.500 |
| R-factor | 0.1472 |
| Rwork | 0.145 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jlq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.586 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.600 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.044 | 0.988 |
| Rmeas | 0.054 | 1.211 |
| Rpim | 0.031 | 0.691 |
| Total number of observations | 194771 | |
| Number of reflections | 66685 | 3292 |
| <I/σ(I)> | 10.1 | 1.2 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 2.9 | 2.9 |
| CC(1/2) | 0.998 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 15% PEG3350, 0.16 M sodium citrate and 9% ethylene glycol |
