3U1I
Dengue virus protease covalently bound to a peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-04-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.220, 133.120, 76.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.21911 |
Rwork | 0.218 |
R-free | 0.24304 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fp7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.328 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 55.800 |
High resolution limit [Å] | 2.300 |
Number of reflections | 23827 |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 0.1M Tris-HCl pH 6.8, 1.8M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |