5KQS
Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine and 7-methyl-guanosine-5'-diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.340, 77.480, 37.030 |
Unit cell angles | 90.00, 104.40, 90.00 |
Refinement procedure
Resolution | 38.740 - 1.500 |
R-factor | 0.1595 |
Rwork | 0.159 |
R-free | 0.17880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2px2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.861 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.12) |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.900 | 65.900 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.069 | 0.047 | 0.813 |
Rmeas | 0.082 | 0.054 | 0.965 |
Rpim | 0.043 | 0.026 | 0.512 |
Total number of observations | 184856 | 1400 | 9177 |
Number of reflections | 56456 | ||
<I/σ(I)> | 7.6 | 16.4 | 1.3 |
Completeness [%] | 99.8 | 99.9 | 99.9 |
Redundancy | 3.3 | 3.8 | 3.3 |
CC(1/2) | 0.996 | 0.996 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 6-9 % PEG 8K, 0.07 M Sodium acetate, pH 5.0, 30% glycerol |