6S94
Crystal structure of group D of Usutu virus envelope protein domain III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97242 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 30.330, 66.432, 88.073 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.700 - 1.790 |
Rwork | 0.212 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s95 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.036 | 36.705 | 1.890 |
High resolution limit [Å] | 1.790 | 5.660 | 1.790 |
Rmerge | 0.030 | 0.406 | |
Rmeas | 0.060 | 0.034 | 0.456 |
Rpim | 0.026 | 0.015 | 0.202 |
Total number of observations | 83419 | 2657 | 11896 |
Number of reflections | 17355 | 628 | 2466 |
<I/σ(I)> | 16.2 | 31.7 | 3.6 |
Completeness [%] | 99.5 | 98.3 | 99.3 |
Redundancy | 4.8 | 4.2 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | NH4 Acet, MES, PEG 8000 |