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 |