5LC0
Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 125.808, 125.808, 73.461 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.900 - 2.700 |
| R-factor | 0.20665 |
| Rwork | 0.204 |
| R-free | 0.26332 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yol |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.622 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.460 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.072 | 0.793 |
| Number of reflections | 18733 | |
| <I/σ(I)> | 19.5 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.2 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.5 M lithium sulfate monohydrate, 0.1 M sodium acetate trihydrate, pH 4.8. |
