2GP4
Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.364, 118.649, 160.017 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.680 - 2.490 |
R-factor | 0.2325 |
Rwork | 0.230 |
R-free | 0.29080 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.080 | 0.206 |
Number of reflections | 41534 | |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 9.8 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 5% PEG400, 50mM cacodylate, 3mM DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |