3LKW
Crystal Structure of Dengue Virus 1 NS2B/NS3 protease active site mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.868, 60.893, 160.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.931 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.070 | 0.484 |
| Number of reflections | 19014 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 98.1 | 79.6 |
| Redundancy | 6.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 0.1M Hepes pH 7.5, 12% PEG 3350, 0.005M each NiCl2, CdCl2, MgCl2, CoCl2, 0.1M Potassium sodium tartrate tetrahydrate, vapor diffusion, temperature 293K |
