8B51
Usutu virus methyltransferase domain in complex with sinefungin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 75 |
Detector technology | PIXEL |
Collection date | 2020-01-31 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.911, 95.546, 110.431 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.260 - 1.840 |
R-factor | 0.2427 |
Rwork | 0.242 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k6m |
RMSD bond length | 0.015 |
RMSD bond angle | 1.223 |
Data reduction software | autoPROC |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20rc4_4425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.260 | 1.990 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.201 | 1.810 |
Number of reflections | 34813 | 1741 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 91.9 | |
Redundancy | 13.4 | |
CC(1/2) | 0.951 | 0.391 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES pH6.5, 12% PEG20.000 |