8DWB
Neuraminidase from influenza virus A/Moscow/10/1999(H3N2) in complex with sialic acid
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-31 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.12723 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 136.217, 136.217, 150.155 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.889 - 1.602 |
Rwork | 0.169 |
R-free | 0.18190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aep |
RMSD bond length | 0.014 |
RMSD bond angle | 1.926 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.889 | 1.607 |
High resolution limit [Å] | 1.602 | 1.602 |
Rmerge | 0.123 | 1.065 |
Number of reflections | 92200 | 923 |
<I/σ(I)> | 14.6 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 16 | 13.1 |
CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 2.0 M NH4-sulfate, 0.2 M Li-sulfate, 0.1 M Tris pH 7.0 |