3HBC
Crystal Structure of Choloylglycine Hydrolase from Bacteroides thetaiotaomicron VPI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 74.281, 135.208, 167.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.390 - 2.269 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23200 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.195 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 2009_02_15_2320_3)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.390 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 19843 | |
| <I/σ(I)> | 11.8 | 2.4 |
| Completeness [%] | 99.7 | 96.9 |
| Redundancy | 8.7 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.05 M Magnesium chloride, 0.1 M HEPES 7.5, 30 % v/v Polyethylene glycol monomethyl ether 550, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
