3OTT
Crystal Structure of the extracellular domain of the putative one component system BT4673 from B. thetaiotaomicron
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 1.25441 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 88.173, 88.173, 432.956 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.270 - 2.300 |
R-factor | 0.1974 |
Rwork | 0.195 |
R-free | 0.25330 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.766 |
Data scaling software | XSCALE |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.800 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.132 | 0.016 | 0.016 |
Number of reflections | 194236 | 2377 | 8048 |
<I/σ(I)> | 11.9 | 60 | 0.6 |
Completeness [%] | 89.8 | 98.3 | 50.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 5% PEGMME 2K, 10% tascimate acid pH7.0 plus 0.1 M cacodylate buffer pH5.5, vapor diffusion, temperature 293K |
1 | VAPOR DIFFUSION | 5.5 | 293 | 5% PEGMME 2K, 10% tascimate acid pH7.0 plus 0.1 M cacodylate buffer pH5.5, vapor diffusion, temperature 293K |