8UVV
The NanJ sialidase catalytic domain in complex with Neu5Ac
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) | 1.54 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 171.134, 171.134, 92.843 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.670 - 2.500 |
R-factor | 0.2189 |
Rwork | 0.217 |
R-free | 0.25270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (3.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 28058 | 28058 |
<I/σ(I)> | 19 | |
Completeness [%] | 99.7 | |
Redundancy | 5.5 | |
CC(1/2) | 0.997 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M HEPES pH 7.5, 2.0M (NH4)2S04 |