3H16
Crystal structure of a bacteria TIR domain, PdTIR from Paracoccus denitrificans
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 98 |
Collection date | 2008-05-20 |
Wavelength(s) | 0.979, 0.980, 0.855 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.780, 85.610, 89.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.500 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.24300 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.237 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.060 | 0.028 | 0.192 |
Number of reflections | 20938 | ||
<I/σ(I)> | 23.711 | ||
Completeness [%] | 95.4 | 99.7 | 78.8 |
Redundancy | 3.9 | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1 M sodium cacodylate pH 6.0, 31% PEG 8000 and 0.2 M ammonium sulfate , VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1 M sodium cacodylate pH 6.0, 31% PEG 8000 and 0.2 M ammonium sulfate , VAPOR DIFFUSION, SITTING DROP, temperature 277K |