2PCE
Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-17 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97958 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 168.688, 174.413, 108.586 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.25000 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.603 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | SHELXD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.270 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.173 | 0.821 |
Number of reflections | 209553 | |
<I/σ(I)> | 15.6 | 2.3 |
Completeness [%] | 97.7 | 91.6 |
Redundancy | 11.8 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 294 | 100mM Hepes pH 7.5, 25% PEG 3350, VAPOR DIFFUSION, temperature 294K |