2RLC
Crystal Structure of the Conjugated Bile Acid Hydrolase from Clostridium perfringens in Complex with Reaction Products Glycine and Cholate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-17 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.91841 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 64.240, 64.240, 169.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.22700 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.009 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 | |
High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
Rmerge | 0.064 | 0.024 | 0.310 |
Number of reflections | 62897 | 324 | 9412 |
<I/σ(I)> | 18.34 | 48.1 | 5.1 |
Completeness [%] | 99.8 | 85 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 10 mM BisTris pH 5.5, 20 mM ammonium sulfate, 25% PEG 3350, 10 mM Na-Glycocholate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |