2BJG
Crystal Structure of Conjugated Bile Acid Hydrolase from Clostridium perfringens in Complex with Reaction Products Taurine and Deoxycholate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2004-08-19 |
Detector | MARRESEARCH |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 63.784, 63.784, 341.367 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bjf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.054 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.160 |
Number of reflections | 34729 | |
<I/σ(I)> | 19 | 8.4 |
Completeness [%] | 81.0 | 84 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25% PEG4000, 200 MM AMMONIUMSULFATE, 100 MM BISTRIS PH 5.5 |