7A5X
Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA derivatized with a PEG linker on the glycerol group.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.203, 96.741, 226.381 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.600 - 1.940 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ya5 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.346 |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.600 | 2.060 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.161 | 0.163 |
Rmeas | 0.171 | 0.173 |
Number of reflections | 80186 | 12318 |
<I/σ(I)> | 10.02 | 1.11 |
Completeness [%] | 99.3 | 95.7 |
Redundancy | 8.43 | 8.6 |
CC(1/2) | 0.997 | 0.477 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2M Ammonium sulfate, 0.1M Tris pH=8,5 35% w/v PEG 3350 |