8U5O
The structure of the catalytic domain of NanI sialdase in complex with Neu5Gc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.270, 72.305, 97.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.880 - 1.500 |
| R-factor | 0.1553 |
| Rwork | 0.154 |
| R-free | 0.17820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.158 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 77611 | 3256 |
| <I/σ(I)> | 23.5 | |
| Completeness [%] | 98.3 | |
| Redundancy | 4 | |
| CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% PEG 3350, 0.2M KNO3, pH 7.0, 15mM Neu5Gc |
