7V1B
Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (in complex with SAH)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.145, 88.067, 45.709 |
Unit cell angles | 90.00, 90.96, 90.00 |
Refinement procedure
Resolution | 27.640 - 1.450 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.18810 |
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 | 1.500 |
High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
Rmerge | 0.051 | 0.030 | 0.247 |
Rmeas | 0.066 | 0.039 | 0.335 |
Rpim | 0.040 | 0.024 | 0.224 |
Total number of observations | 91677 | ||
Number of reflections | 44137 | 4215 | 4221 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 89.5 | 84 | 85.5 |
Redundancy | 2.1 | 2.3 | 1.6 |
CC(1/2) | 0.993 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.6 | 289 | isopropanol, trisodium citrate, PEG 4000, glycerol |