6ADY
Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.681, 68.376, 56.717 |
Unit cell angles | 90.00, 92.95, 90.00 |
Refinement procedure
Resolution | 34.511 - 1.900 |
R-factor | 0.1801 |
Rwork | 0.178 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vbc |
RMSD bond length | 0.006 |
RMSD bond angle | 0.842 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.046 | 0.038 | 0.146 |
Rmeas | 0.055 | 0.045 | 0.176 |
Rpim | 0.030 | 0.024 | 0.097 |
Number of reflections | 32052 | 3278 | 3149 |
<I/σ(I)> | 14.8 | ||
Completeness [%] | 99.0 | 98.8 | 98.3 |
Redundancy | 3.4 | 3.5 | 3.3 |
CC(1/2) | 0.995 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | PEG3350, lithium sulfate |