2J1V
Structure of a Streptococcus pneumoniae fucose binding module in complex with the blood group H-trisaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 113 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.827, 60.465, 99.498 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.990 - 1.450 |
R-factor | 0.154 |
Rwork | 0.152 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.629 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.065 | 0.384 |
Number of reflections | 45077 | |
<I/σ(I)> | 13.8 | 4.2 |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20-22% polyethylene glycol 1500, 0.15M KSCN, and 0.1M Tris-HCl, pH 7.5 |