8DU5
Murine sialidase-1 (NEU1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-17 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | I 41 |
Unit cell lengths | 221.346, 221.346, 131.748 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.410 - 3.500 |
R-factor | 0.1762 |
Rwork | 0.175 |
R-free | 0.19910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1snt |
RMSD bond length | 0.003 |
RMSD bond angle | 0.603 |
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] | 50.000 | 3.630 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmeas | 0.210 | 1.808 |
Rpim | 0.100 | 0.854 |
Number of reflections | 38652 | 3888 |
<I/σ(I)> | 7 | 0.85 |
Completeness [%] | 96.4 | 97.5 |
Redundancy | 4 | 4.1 |
CC(1/2) | 0.987 | 0.446 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | precipitant: sodium acetate; buffer: bis-tris-HCl pH6; cryoprotectant: sodium malonate |