5JIL
Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase in complex with 4N-acetyl sialic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2015-12-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8729 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.090, 184.590, 78.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.290 - 1.850 |
R-factor | 0.18515 |
Rwork | 0.184 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | RCoV-HE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.296 |
Data reduction software | MOSFLM (7.09) |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.920 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.106 | 0.519 |
Number of reflections | 33539 | |
<I/σ(I)> | 6.2 | 1.8 |
Completeness [%] | 94.4 | 95.7 |
Redundancy | 3.2 | 2.8 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES pH 7.5, 0.2M NaCl, 20% w/v PEG3000 |