2FP7
West Nile Virus NS2B/NS3protease in complex with Bz-Nle-Lys-Arg-Arg-H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00005 |
| Spacegroup name | P 65 |
| Unit cell lengths | 93.425, 93.425, 47.435 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.730 - 1.680 |
| R-factor | 0.18247 |
| Rwork | 0.181 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | inhouse - obtained by SAD phasing |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.388 |
| Data scaling software | XDS |
| Phasing software | CNX |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.000 | 1.730 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 26547 | |
| <I/σ(I)> | 21.5 | 3.8 |
| Completeness [%] | 97.9 | 92.4 |
| Redundancy | 5.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 2 M ammonioum sulfate, 100mM HEPES., pH 8.5, VAPOR DIFFUSION, temperature 321K |
