5EQ3
Crystal structure of the SrpA adhesin from Streptococcus sanguinis with a sialyl galactose disaccharide bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 174.620, 47.005, 64.026 |
Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
Resolution | 28.229 - 2.000 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.24290 |
RMSD bond length | 0.026 |
RMSD bond angle | 0.979 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.131 | 0.064 | 0.500 |
Rmeas | 0.142 | 0.069 | 0.551 |
Rpim | 0.054 | 0.026 | 0.224 |
Total number of observations | 225197 | ||
Number of reflections | 32930 | ||
<I/σ(I)> | 7.7 | ||
Completeness [%] | 94.7 | 99.8 | 78 |
Redundancy | 6.8 | 6.6 | 5.3 |
CC(1/2) | 0.996 | 0.881 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM Na cacodylate, 0.2 M Ca(CH3CO2)2, 18% PEG 8000. SrpA protein was concentrated to 16 mg/mL in 20 mM Tris pH 7.2, 10 mM disaccharide |