3CWI
Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR137
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-02 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97908 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 40.965, 40.965, 89.537 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.900 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.25800 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.078 | 0.370 |
Number of reflections | 11436 | |
<I/σ(I)> | 40.74 | 4.54 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 14.5 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM NaCl, 5 mM DTT. Reservoir solution: 100 mM Sodium acetate pH 5.0, 18% PEG 8000, 200 mM Magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 291K |