4M9I
A125C NS2B-NS3 protease from dengue virus at pH 5.5
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 | 2011-12-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.469, 62.153, 114.619 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.21832 |
| Rwork | 0.215 |
| R-free | 0.27587 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fom |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.833 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.410 |
| High resolution limit [Å] | 2.410 | 2.370 |
| Rmerge | 0.145 | 0.539 |
| Number of reflections | 8116 | |
| <I/σ(I)> | 8.4 | 2.04 |
| Completeness [%] | 98.8 | 96.3 |
| Redundancy | 3.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 40% PEG200, 0.1 M Acetic acid, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
