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 |