4M9F
Dengue virus NS2B-NS3 protease A125C variant 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 | 2011-11-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.627, 62.160, 115.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.22781 |
| Rwork | 0.227 |
| R-free | 0.24418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fom |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.711 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.174 | 0.180 |
| Number of reflections | 5774 | |
| <I/σ(I)> | 12.9 | 2.1 |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 6.6 | 6.6 |
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 |
