2YOL
West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2012-03-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 118.700, 118.700, 66.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 102.770 - 3.200 |
| R-factor | 0.18849 |
| Rwork | 0.188 |
| R-free | 0.20681 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fp7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.489 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.380 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.150 | 0.490 |
| Number of reflections | 9157 | |
| <I/σ(I)> | 12.2 | 4.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.7 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% (W/V) POLYETHYLENE GLYCOL (PEG)3350, 0.1 M HEPES, PH 7.4 |
