5C8S
Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA
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 | 2014-10-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 188.797, 196.840, 180.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.558 - 3.326 |
R-factor | 0.2192 |
Rwork | 0.217 |
R-free | 0.25940 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.445 |
Data reduction software | HKL-3000 |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.360 |
High resolution limit [Å] | 3.300 | 8.940 | 3.300 |
Rmerge | 0.076 | 0.035 | 0.877 |
Rmeas | 0.082 | 0.038 | 0.955 |
Rpim | 0.032 | 0.015 | 0.376 |
Total number of observations | 339184 | ||
Number of reflections | 50763 | ||
<I/σ(I)> | 4.3 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 6.7 | 6.2 | 6.4 |
CC(1/2) | 0.998 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3350 |