2PS2
Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Aspergillus oryzae
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 | 2007-04-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.865, 94.865, 330.673 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.770 - 1.800 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.20900 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.067 |
Number of reflections | 136762 |
Completeness [%] | 97.2 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 1 M Tri-sodium citrate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |