3CIH
Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97900 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 146.895, 146.895, 198.847 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.330 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.23300 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.410 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.086 | 0.263 |
Number of reflections | 45225 | |
<I/σ(I)> | 17.2 | 3 |
Completeness [%] | 96.8 | 80 |
Redundancy | 12 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 22% PEG 3350, 0.1M Tris-HCl, 0.15M Ammonium acetate, 0.2M Nacl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |