4C7W
Crystal structure of Mouse Hepatitis virus strain S Hemagglutinin- esterase in complex with 4-O-acetylated 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] | 100 |
Detector technology | CCD |
Collection date | 2007-03-11 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.566, 106.590, 135.607 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.920 - 2.500 |
R-factor | 0.21546 |
Rwork | 0.214 |
R-free | 0.24877 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c7l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.229 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.500 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.900 |
Number of reflections | 46670 | |
<I/σ(I)> | 12.7 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.6 | 0.2 M KH2PO4, 0.2 M SODIUM MALONATE, 15% (W/V) PEG3350 AND 5% (W/V) GLYCEROL, pH 3.6 |