3FJ4
Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 131.119, 131.119, 109.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.710 - 1.800 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dgb |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.069 |
Number of reflections | 87668 |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2.0M Ammonium sulfate , 5% iso-Propanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |