6KR3
Crystal structure of Dengue virus nonstructural protein NS5 (form 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9788 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 178.845, 209.975, 157.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.812 - 2.931 |
| R-factor | 0.235 |
| Rwork | 0.233 |
| R-free | 0.26810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k6m 4v0q |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.234 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.000 | 60.000 | 3.030 |
| High resolution limit [Å] | 2.930 | 6.310 | 2.930 |
| Rmerge | 0.138 | 0.092 | 0.550 |
| Rmeas | 0.153 | 0.102 | 0.609 |
| Rpim | 0.064 | 0.044 | 0.257 |
| Total number of observations | 356093 | ||
| Number of reflections | 63847 | 6639 | 6304 |
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 5.6 | 5.4 | 5.5 |
| CC(1/2) | 0.990 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.1 | 289 | PEG3350 |
