4TSH
A Novel Protein Fold Forms an Intramolecular Lock to Stabilize the Tertiary Structure of Streptococcus mutans Adhesin P1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-05-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 197.521, 68.887, 81.278 |
Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
Resolution | 35.847 - 2.000 |
R-factor | 0.1706 |
Rwork | 0.170 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qe5 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.238 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.850 | |
High resolution limit [Å] | 2.000 | |
Rmerge | 0.090 | 0.649 |
Number of reflections | 73061 | |
<I/σ(I)> | 18.5 | 2.07 |
Completeness [%] | 99.8 | 97 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Crystals were routinely grown at room temperature using the hanging drop vapor diffusion method by mixing 4uL of concentrated NA1/P3C with a mother liquor solution of 24% polyethylene glycol (PEG) 4000, 150mM ammonium phosphate, at pH 7.5. Crystals formed as large plate clusters within approximately 2 weeks. Following initial crystal growth, 8uL of a solution containing 45% PEG 4000, 100mM ammonium phosphate, at pH 7.5 was added to the crystal drop to facilitate the removal of water from the crystal and improve diffraction quality by producing a more compact and ordered crystal lattice |