5D2H
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.437 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.741, 44.904, 125.318 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.272 - 1.936 |
R-factor | 0.1667 |
Rwork | 0.163 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eb4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.097 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.272 | 2.000 |
High resolution limit [Å] | 1.936 | 1.936 |
Rmerge | 0.104 | 0.514 |
Number of reflections | 18138 | |
<I/σ(I)> | 9.868 | 1.388 |
Completeness [%] | 94.8 | 70.7 |
Redundancy | 3.3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | lithium sulfate monohydrate |