4M9M
NS2B-NS3 protease from dengue virus at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-27 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.910, 62.462, 114.572 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.950 - 1.530 |
| R-factor | 0.20528 |
| Rwork | 0.203 |
| R-free | 0.25033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fom |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.306 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.950 | 1.530 |
| High resolution limit [Å] | 1.530 | 1.500 |
| Rmerge | 0.086 | 0.487 |
| Number of reflections | 32578 | |
| <I/σ(I)> | 50.4 | 1.184 |
| Completeness [%] | 99.3 | 84.9 |
| Redundancy | 6.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 40% PEG200 , 0.1 M acetic acid, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
