2BJF
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 |
| Collection date | 2004-10-15 |
| Detector | MARRESEARCH |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 88.848, 90.835, 188.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.070 - 1.670 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pva |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.030 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.040 | 0.110 |
| Number of reflections | 42911 | |
| <I/σ(I)> | 29.4 | 8 |
| Completeness [%] | 97.0 | 97 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 2.6M AMMONIUM SULFATE, 100 MM NACITRATE PH 6.0 |
