3DSM
Crystal structure of the surface layer protein BACUNI_02894 from Bacteroides uniformis, Northeast Structural Genomics Consortium Target BtR193D.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97909 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.731, 68.328, 87.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.470 - 1.900 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.20200 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX (then SOLVE/RESOLVE) |
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 | 0.045 | 0.078 |
Number of reflections | 42744 | |
<I/σ(I)> | 33 | 10.43 |
Completeness [%] | 83.9 | 61.7 |
Redundancy | 3.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 7 | 291 | Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100mM Bis-Tris Propane (pH 7), 40% PEG4k, and 100mM NH4Cl , microbatch under oil, temperature 291K |