6VU6
Sialic acid binding region of Streptococcus Sanguinis SK1 adhesin bound to 3'sLn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-05 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 82.213, 269.859, 47.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.100 - 2.100 |
R-factor | 0.2257 |
Rwork | 0.225 |
R-free | 0.24770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vs7 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.784 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 55942 | 4057 |
<I/σ(I)> | 16.264 | |
Completeness [%] | 92.4 | |
Redundancy | 4.3 | |
CC(1/2) | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | Protein concentration: 72 mg/mL, Protein buffer: 150 mM NaCl, 20 mM tris pH 7.6, Reservoir solution: 20% (w/v) PEG 3350, 0.2 M MgSO4, 0.01 M SrCl2. Crystals were soaked with 10mM 3'-sialyl-N-acetyllactosamine, 20% (w/v) PEG 3350, 0.2 M MgSO4, 0.01 M SrCl2. Cryoprotectant: 40% (1:1 ethylene glycol:glycerol) and 60% reservoir solution |