3HWP
Crystal structure and computational analyses provide insights into the catalytic mechanism of 2, 4-diacetylphloroglucinol hydrolase PhlG from Pseudomonas fluorescens
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-05 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9794, 0.9799, 0.9752 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 124.785, 132.612, 95.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.991 - 2.000 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21740 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.060 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.103 | 0.447 |
| Number of reflections | 53600 | |
| <I/σ(I)> | 18.1 | 2.3 |
| Completeness [%] | 99.1 | 93.4 |
| Redundancy | 6.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 20% polyethylene glycol 4,000, 17% isopropanol, 0.1 M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
