3KWG
X-ray structure of NS1 effector domain W187A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-25 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.784, 48.193, 154.687 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.350 - 2.210 |
R-factor | 0.18944 |
Rwork | 0.187 |
R-free | 0.23304 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ee9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.061 | 0.098 |
Number of reflections | 17384 | |
<I/σ(I)> | 79 | 23.9 |
Completeness [%] | 92.8 | |
Redundancy | 13.4 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 277 | 0.3M magnesium formate, 0.1M Bis-Tris , pH 5.5, EVAPORATION, temperature 277K |