5SWA
Crystal structure of N-glycan transport solute binding protein (NgtS) from Streptococcus pneumoniae in complex with Man1GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-09 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.04007 |
Spacegroup name | P 1 |
Unit cell lengths | 39.990, 50.470, 107.890 |
Unit cell angles | 89.17, 89.02, 88.90 |
Refinement procedure
Resolution | 107.860 - 3.000 |
R-factor | 0.2294 |
Rwork | 0.227 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5suo |
RMSD bond length | 0.004 |
RMSD bond angle | 0.835 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 107.860 |
High resolution limit [Å] | 3.000 |
Rmerge | 0.137 |
Number of reflections | 16399 |
<I/σ(I)> | 6.6 |
Completeness [%] | 97.0 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 23 % PEG 3350, 0.18 M sodium bromide, 0.1 M sodium citrate |