7V1I
Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (with an m7GMP-Arg28 adduct and in complex with SAH)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.232, 89.977, 45.686 |
Unit cell angles | 90.00, 91.25, 90.00 |
Refinement procedure
Resolution | 27.730 - 2.060 |
R-factor | 0.2163 |
Rwork | 0.214 |
R-free | 0.26180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k6m |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.072 | 0.047 | 0.330 |
Rmeas | 0.080 | 0.052 | 0.364 |
Rpim | 0.034 | 0.021 | 0.151 |
Total number of observations | 93708 | ||
Number of reflections | 15952 | 1806 | 1330 |
<I/σ(I)> | 12.5 | ||
Completeness [%] | 89.2 | 99.5 | 75.1 |
Redundancy | 5.9 | 6.3 | 5.5 |
CC(1/2) | 0.997 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.6 | 289 | isopropanol, trisodium citrate, PEG 4000, glycerol |