3E90
West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-01-31 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.511, 165.915, 79.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.810 - 2.450 |
Rwork | 0.197 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fp7 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.430 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.117 | 0.468 |
Number of reflections | 20604 | |
<I/σ(I)> | 7 | 2.1 |
Completeness [%] | 94.1 | 94.8 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 3.5M sodium formate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |