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 |
