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 |
