7A54
Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA
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 | 2018-07-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.870, 96.194, 220.602 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.270 - 2.700 |
| R-factor | 0.2076 |
| Rwork | 0.206 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ya5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.776 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.100 | 2.420 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.378 | |
| Rmeas | 0.205 | 0.395 |
| Number of reflections | 31218 | 7560 |
| <I/σ(I)> | 9.06 | 0.41 |
| Completeness [%] | 99.9 | 93.5 |
| Redundancy | 12.5 | 11.14 |
| CC(1/2) | 0.998 | 0.384 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 15% w/v Jeffamine ED 2003, 10% v/v ethanol |
